Faculty at School of Natural Sciences

Parthapratim Munshi

Parthapratim Munshi

Professor

School of Natural Sciences


Contact Information

  • High-resolution single-crystal X-ray and Neutron diffractions, Crystal growth & design, Multifunctional organic materials chemistry, Quantum crystallography (Charge density analysis)
  • Organic optical, semiconductor, ferroelectric, piezoelectric & pyroelectric, and thermo-responsive (negative thermal expansion) materials, biologically active molecules and polymorphism.
  • Drug design, Protein-ligand interactions, Molecular docking and Bioinformatics.

Learn more about our recent research: parthapratimmunshi.weebly.com

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Ph.D., Indian Institute of Science (IISc.), Bengaluru, Karnataka

M.Sc., North Bengal University, Siliguri, Darjeeling

  • 07/21 – Present, Professor, Department of Chemistry, School of Natural Sciences, Shiv Nadar Institution of Eminence Deemed to be University, Delhi-NCR
  • 07/18 - 06/21, Associate Professor, Department of Chemistry, School of Natural Sciences, Shiv Nadar Institution of Eminence Deemed to be University, Delhi-NCR
  • 08/13 - 06/18, Assistant Professor, Department of Chemistry, School of Natural Sciences, Shiv Nadar Institution of Eminence Deemed to be University, Delhi-NCR
  • 01/11 - 07/13, Postdoctoral Research Scientist, Neutron Scattering Sciences Directorate, Oak Ridge National Laboratory, TN, USA.
  • 11/08 - 11/10, Marie Curie Research Fellow, CRM2, CNRS, Nancy University 1, Nancy, France.
  • 10/05 - 10/08, Postdoctoral Research Associate, School of Chemistry and Biochemistry, University of Western Australia, Perth, Australia.

  • Research Excellence Award by Shiv Nadar Institution of Eminence DTB University, 2021.
  • Fellow of Royal Society of Chemistry (FRSC), London, UK, 2020.
  • Emerging Investigators in Crystal Growth & Design – An ACS journal, 2019.
  • International Travel Support from SERB-DST, India Govt. July 2005, July 2014 and June 2018.
  • Significant Event Award from ORNL for exceptional teamwork for the commissioning of IMAGINE beam line, 2013.
  • Travel Fellowship Awards from the U.S. National Committee for the IUCr. Aug. 2011.
  • Selected for the 2nd Annual Young Investigators' Meeting (YIM) Boston, USA, Oct. 2010.
  • Postdoctoral fellowship at the Oak Ridge National Laboratory, TN, USA, Jan. 2011.
  • Qualified in a global competition among young scientists worldwide to participate in the 60th Meeting of Nobel Laureates at Lindau, Germany, Jun / Jul 2010.
  • Marie Curie International Incoming Fellowship within the 7th European Community Framework Programme, France, Nov 2008 – Oct 2010.
  • Postdoctoral fellowship at the University of Western Australia, WA, Perth, Australia, Oct. 2005.
  • Senior Research Fellowship, Council of Scientific and Industrial Research, India 2003 – 2005.
  • Junior Research Fellowship, Indian Institute of Science, Bangalore, 2000 – 2002.

  • S. Dutta, L. Negi, P. Munshi*"Multifunctional Single-component Organic Molecular Materials: Ferroelectricity, Negative Thermal Expansion, and Polymorphism" Materials Advances, 2024, (Open Access) Advance Article - Highlight. 

    This article is part of the themed collection: Recent Review Articles https://doi.org/10.1039/D4MA00444B

    Vikas, L. Negi, P. Munshi* "Dynamic Order-Disorder Reversible Phase Transition and Anisotropic Thermal Expansions in A Single-Component Organic Molecular Crystal". Crystal Growth & Design, 2024, 24 (6), 2533- 2541. 
    https://doi.org/10.1021/acs.cgd.3c01549

    G. Gupta, Y. Gupta, A. Kumar, R. Bhowal, P. Munshi* “Color packing polymorphism in an organic chromophore” Crystal Growth & Design, 2024, 24 (2), 646-656. https://doi.org/10.1021/acs.cgd.3c00957 

    S. Rath, D. Maiti, M. Modi, P. Pal, S. Munan, B. Mohanty, A. Bhatia, R. Bhowal, R. Priyadarshini, A. Samanta, P. Munshi*, S. Sen*, “Metal-free synthesis and study of glycine betaine derivatives in water for antimicrobial and anticancer applications.” iScience, 2023, 26, 107285 (Open Access). https://doi.org/10.1016/j.isci.2023.107285

  • K. K. Jha, A. Kumar, P. Munshi*, “Solvatochromism and reversible solvent exchange phenomena in solvatomorphic organic chromophore crystals” Crystal Growth & Design,2023, 23(4), 2922–2931.
  • L. Singla^, A. Kumar^, C. Robertson*, P. Munshi*, A. R. Choudhury*, "Investigation of C-F•••F-C interactions using experimental and theoretical charge density analyses" Crystal Growth & Design,2023, 23(2), 853-861. ^Equal contributions.
  • A. Kumar, B. Mohanty, P. Munshi* "Probing diversity in binding affinities of polymorphs of an anticancer agent against human γ-enolase - A quantum crystallographic perspective" Crystal Growth & Design, 2023, 23(1), 580-591.
  • A. Kumar, J. Chauhan, K. Dubey, S. Sen, P. Munshi*, "Tuning potency of bioactive molecules via polymorphic modifications: A case study", Mol. Pharmaceutics, 2022, 19(3), 1008–1018.
  • S. Dutta, Vikas, T. Vijayakanth, and P. Munshi*, “Ferroelectricity and negative thermal expansion in a purely organic single-component material.” ACS Appl. Electron. Mater. 2021, 3(8), 3633–3640.
  • S. K. Mandal and P. Munshi*, “Predicting accurate lead structures for screening molecular libraries: a quantum crystallographic approach” Molecules 2021, 26(9), 2605-2621.
  • S. Dutta and P. Munshi* “Thermo-responsive single-component organic materials: Iso-symmetric phase transition, polymorphism and negative thermal expansion” Acta Cryst. 2021, A77, C1016.
  • P. Munshi*, S. Dutta, A. Kumar, “understanding the proton tautomerism mechanism in organic molecular ferroelectrics: Insights from quantum crystallography” Acta Cryst. 2021, A77, C913.
  • A. Kumar, J. Chauhan, K. D. Dubey, S. Sen, P Munshi*, importance of polymorphism in improving the potency of bioactive molecules” Acta Cryst. 2021, A77, C891.
  • S. Dutta and P. Munshi* "Unusual Anisotropic Thermal Expansions with Reversible Axial Switching and Record-Wide Thermal Hysteresis in Single-Component Purely Organic Molecular Crystals" J. Phys. Chem. C., 2020, 124, 27413 - 27421.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic Approaches" CrystEngComm, 2020, 22, 4363-4373.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic Approaches" CrystEngComm, Cover page, 2020, 22, 4501.
  • S. K. Mandal, P. Munshi, “Predicting Lead Structure(s) for Molecular Library Screening Using Molecular Docking and Quantum Crystallography”, SSRN 3532904, 2020.
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-Organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun. 2019, 55, 9610-9613.
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-Organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun, Cover page, 2019, 55, 9572.
  • K. K. Jha, Y. Yadav, S. B. Srivastava, D. Chakraborty, P. Johari, S. P. Singh and P. Munshi* "Structure-property Relationship in an Organic Semiconductor: Insights from Energy Frameworks, Charge Density Analysis and Diode Device" Cryst. Growth Des. 2019, 19(5), 3019-3029.
  • K. K. Jha, S. Dutta, S. Sar, S. Sen, and P. Munshi* “Harnessing Sun for Catalyst and Sensitizer Free Regio- and Stereo-selective [2+2] Cycloaddition” Tetrahedron, 2018, 74(51), 7326-7334.
  • A. Iruthayaraj, K. Chinnasamy, K. K. Jha, M. S. Pavan, P. Munshi, and P. Kumaradhas “Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis” J. Mol. Struc., 2018, 1180, 683-697.
  • D. Jayatilaka*, K. K. Jha and P. Munshi* “Is it reasonable to obtain information on the polarizability and hyperpolarizability from the electron density?” Aust. J. Chem. 2018, 71(4) 295-306.
  • K. K. Jha, S. Dutta, and P. Munshi* "Concomitance, reversibility and switching ability of centrosymmetric and non-centrosymmetric crystal forms: Polymorphism in an organic NLO material" Cryst. Growth Des. 2018,18(2), 1126–1135.
  • Note: This article has been selected as a Highlighted article - Editor’s choice.
  • G. Singh, P. Kalra, A. Arora, A. Singh, G. Sharma, I. K. Maurya, S. Dutta, P. Munshi, V. Verma "Acetylenic Indole‐Encapsulated Schiff Bases: Synthesis, In Silico Studies as Potent Antimicrobial Agents, Cytotoxic Evaluation and Synergistic Effects" ChemistrySelect, 2018, 3(8), 2366-2375.
  • S. K. Mandal, P. Saha, P. Munshi,* N. Sukumar “Exploring Potent Ligand for Proteins: Insights from Knowledge-based Scoring Functions and Molecular Interaction Energies”, Structural Chemistry, 2017, 28(5), 1537-1552.
  • V. Kumar, R. Thaimattam, S. Dutta, P. Munshi, A. Ramanan “Structural landscape of multicomponent solids based on sulfa drugs”, CrystEngComm, 2017, 19, 2914-2924. 
  • K. K. Jha, S. B. Srivastava, S. P. Singh and P. Munshi* “Efficient organic NLO material: charge-density analysis and device fabrication” Acta Cryst. 2017, A73, C800.
  • S. K. Mandal, B. Guillot and P. Munshi* “Topological analysis of hydrogen bonds and interaction energies in proteins” Acta Cryst. 2017, A73, C573.
  • S. Dutta, A. Menon and P. Munshi* “Exploring ferroelectricity in organic salts or co-crystals” Acta Cryst. 2017, A73, C726.
  • E. Sangtani, K. Jha, P. Munshi and R. Gonnade “Co-crystals/salts of furosemide: interesting case of colour co-crystal polymorphism” Acta Cryst. 2017, A73, C724.
  • P. Munshi* “Charge-density studies in small molecules and proteins: sources and detectors” Acta Cryst. 2017, A73, C1387.
  • E. Sangtani, S. K. Mandal, A. S. Sreelakshmi, P. Munshi, R. Gonnade "Salts and Cocrystals of Furosemide with Pyridines: Differences in π-Stacking and Color Polymorphism". Crystal Growth & Design, 2017, 17 (6), 3071–3087.
  • N. Kumar, S. Hati, P. Munshi, S. Sen, S. Sehrawat, S Singh "A novel spiroindoline targets cell cycle and migration via modulation of microtubule cytoskeleton" Molecular Cell Biochemistry, 2017, 429(1-2), 11-21.
  • P. K. Dutta, A. Majumder, S. Dutta, B. B. Dhar, P. Munshi, S. Sen,” Solvent free, palladium catalyzed highly facile synthesis of diaryl disulfides from aryl thiols” Tetrahedron Letter, 2017, 58, 527-530.
  • K. K. Jha, S. Dutta, V. Kumar, P. Munshi*, “Isostructural Polymorphs: Qualitative Insights from Energy Frameworks” CrystEngComm, 2016, 18, 8497-8505.
  • S Hati, P Kumar Dutta, S Dutta, P Munshi, S Sen, “Accessing Benzimidazoles via a Ring Distortion Strategy: An Oxone Mediated Tandem Reaction of 2-Aminobenzylamines” Organic Letter, 2016, 18 (13), 3090-3093.
  • C. Bathula, S. Tripathi, R. Srinivasan, K. K. Jha, A. Ganguli, G. Chakrabarti, S. Singh, P. Munshi, S. Sen “Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent” Organic & Biomolecular Chemistry, 2016, 14, 8053-8063.
  • R. Mamidala, P. Majumdar, K. K. Jha, C. Bathula, R. Agarwal, M. T. Charya, H. Mazumdar, P. Munshi, S. Sen, "Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors". Scientific Report, 2016, 6, 28120.
  • E. Sangtani, S. K. Sahu, S. H. Thorat, R. L. Gawade, K. K. Jha, P. Munshi, R. Gonnade "Furosemide Cocrystals with Pyridines: An Interesting Case of Color Co-crystal Polymorphism". Crystal Growth & Design, 2015, 15, 5858 - 5872.
  • C. Bathula, P. Dangi, S. Hati, R. Agarwal, P. Munshi, S. Singh, S. Sen “Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategy” New Journal of Chemistry, 2015, 39, 9281.
  • C. Bathula, R. Mamidala, C. Thulluri, R. Agarwal, K. K. Jha, P. Munshi, U. Adepally, A. Singh, M. Thirumalachary, S. Sen “Substituted furopyridinediones as novel inhibitors of α-glucosidase”. RSC Advances, 2015, 5, 90374.
  • A. C. Shaikh, D. S. Ranade, S. Thorat, A. Maity, P. P. Kulkarni, R. G. Gonnade, P. Munshi and N. T. Patil "Highly Emissive Organic Solids with Remarkably Broad Color Tunability Based on N, C-Chelate Four-Coordinate Organoborons”. ChemComm, 2015, 51, 16115.
  • B. Zarychta, A. Lyubimov, M. Ahmed, P. Munshi, B. Guillot, A. Vrielink, C. Jelsch. “Ultra-high resolution crystal structure and charge density study of cholesterol oxidase”. Acta Crystallographica Section D, 2015, 71, 954.
  • G. Prabhu, S. Agarwal, V. Sharma, S. M. Madurkar, P. Munshi, S. Singh, S. Sen. “A natural product based DOS library of hybrid systems” European Journal Medicinal Chemistry, 2015, 95, 41.
  • P. Munshi, E. Snell, M. van der Woerd, R. Judge, D. Myles, Z. Ren, F. Meilleur, “Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant.” Acta Crystallographica Section D, 2014, 70, 414.
  • P. Munshi* & K. K. Jha “Exploring Charge Transfer Mechanism in Organic NLO (Polymorphic) Materials”, Acta Crystallographica Section A, 2014, 70, C378.
  • P. Munshi, C. B. Stanley, S. Ghimire-Rijal, Xun Lu, D. A. Myles, M. J. Cuneo, “Molecular detail of ligand selectivity determinants in a promiscous b-glucan periplasmic binding protein.” BMC Structural Biology, 2013, 13:18.
  • F. Meilleur, P. Munshi, L. Robertson, A. Stoica, L. Crow, A. Kovalevsky, T. Koritsanszky, B. C. Chakoumakos, R. Blessing, D. A. A. Myles, “IMAGINE: first neutron protein structure and new capabilities for neutron macromolecular crystallography.” Acta Crystallographica Section D, 2013, 69, 2157 - 2160.
  • P. Munshi, S-L. Chung, M. P. Blakely, K. Weiss, D. A. Myles, F. Meilleur, “Rapid visualization of hydrogen positions in protein neutron crystallography structures.” Acta Crystallographica Section D, 2012, 63, 35 - 41.
  • V. Hathwar, R. G. Gonnade, P. Munshi, M. M. Bhadbhade, T. N. Guru Row, “Halogen bonding in 2, 5-dichloro-1, 4-benzoquinone: Insights from experimental and theoretical charge density analysis.” Crystal Growth & Design, 2011, 11(5), 1855 - 1862.
  • S. Domagala, P. Munshi, M. Ahmed, B. Guillot, C. Jelsch, “Structural analysis and multipole modelling of quercetin monohydrate - A quantitative and comparative study.” Acta Crystallographica Section B, 2011, 67, 63 - 78.
  • P. Munshi, C. Jelsch, V. Hathwar, T. N. Guru Row, “Experimental and Theoretical Charge Density Analyses on Polymorphic Structures: A Case of Coumarin 314 dye.” Crystal Growth & Design, 10(4), 2010, 1516-1526; Corrections, 10(10), 2010, 4670.
  • D. Jayatilaka, P. Munshi, M. Turner, J. A. K. Howard, M. A. Spackman, “Refractive indices for molecular crystals from the response of X-ray constrained Hartree–Fock wavefunctions.” Physical Chemistry Chemical Physics, 11, 2009, 7209-7218.
  • P. Munshi, B. Guillot, D. Liebschner, C. Jelsch, Quantitaive analysis of atomic polarization in protein human aldose reductase. Acta Crystallographica Section A, 65, 2009, s172.
  • C. Jelsch, S. Domagala, B. Zarychta, C. Lecomte, B. Guillot, P. Munshi, Assesment of electron density refinement quality using free R-factors and restraints. Acta Crystallographica Section A, 65, 2009, s76.
  • P. Munshi, A. O. Madsen, M. A. Spackman, S. Larsen and R. Destro, “Estimated hydrogen anisotropic displacement parameters: A comparison between different methods and with neutron diffraction results.” Acta Crystallographica Section A, 64, 2008, 465-475.
  • P. Munshi, B. W. Skelton, J. J. Mckinon, and M. A. Spackman, “Polymorphism in 3-methyl-4-methoxy-4¢-nitrosilbene, A Highly Active NLO Material.” CrystEngComm, 10, 2008, 197-206.
  • P. Munshi, B. Dittrich, M. A. Spackman, D. Jayatilaka, and L. H. Rees, Estimation of optical properties from wavefunction fitting of X-ray diffraction data. Acta Crystallographica Section A, 64, 2008, C128.
  • M. M. Bhadbhade, R. G. Gonnade, P. Munshi, T. N. Guru Row, Charge density studies on halogen bonding interactions. Acta Crystallographica Section A, 64, 2008, C568.
  • M. A. Spackman, P. Munshi and D. Jayatilaka, “The Use of Dipole Lattice Sums to Estimate Electric Fields and Dipole Moment Enhancement in Molecular Crystals.” Chemical Physics Letters, 443, 2007, 87-91.
  • M. A. Spackman, P. Munshi and B. Dittrich, “Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data.” (mini review). A European Journal of Chemical Physics and Physical Chemistry, 8, 2007, 2051-2063.
  • B. Dittrich, P. Munshi and M. A. Spackman, Redetermination, Invariom-model and Multipole Refinement of l-orthinine Hydrochloride. Acta Crystallographica Section B, 63, 2007, 505-509.
  • P. Munshi, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and T. S. Cameron, Investigation of Inter-ion Interactions in N,N,N'N'-tetramethylethlenediammonium dithiocyanate via Experimental and Theoretical Charge Density Studies. The Journal of Physical Chemistry A, 111(32), 2007, 7888-7897.
  • B. Dittrich, P. Munshi and M. A. Spackman, Invariom-model Refinement of l-valinol. Acta Crystallographica Section C, 62, 2006,o633-o635.
  • P. Munshi & T. N. Guru Row, Intra and Intermolecular Interactions in Small Bioactive Molecules: Cooperative Features from Experimental and Theoretical Charge Density Analysis. Acta Crystallographica Section B, 62, 2006, 612-626.
  • P. Munshi & T. N. Guru Row, Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-acetylcoumarin, A Case of Packing Polymorphism. Crystal Growth & Design, 6(3), 2006, 708-718.
  • P. Munshi, T. S. Thakur, T. N. Guru Row, and G. R. Desiraju, Five Varieties of Hydrogen Bonds in 1-Formyl-3-Thiosemicarbazide. An Electron Density Study. Acta Crystallographica Section B, 62, 2006, 118-127.
  • P. Munshi & T. N. Guru Row, Charge Density Based Classification of Intermolecular Interactions in Molecular Crystals. CrystEngComm, 7(100), 2005, 608-611.
  • P. Munshi & T. N. Guru Row, Evaluation of Intermolecular Interactions in Molecular Crystals via Experimental and Theoretical Charge Densities. Crystallography Reviews, 11(3), 2005, 199-241.
  • P. Munshi & T. N. Guru Row, Exploring the Lower Limit in Hydrogen Bonds: Analysis of Weak C-H...O and C-H...p Interactions in Substituted Coumarins from Charge Density Analysis. The Journal of Physical Chemistry A, 109(4), 2005, 659-672.
  • P. Munshi & T. N. Guru Row, Topological analysis of charge densities in polymorphs of 3-acetylcoumarin. Acta Crystallographica Section A, 61, 2005, C423-C424.
  • T. S. Cameron, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and P. Munshi, Examination of all inter-ion interactions in (CH3)2N(H)CH2CH2N(H)(CH3)2(SCN)2. Acta Crystallographica Section A, 61, 2005, C428.
  • P. Munshi & T. N. Guru Row, 2H-Thiochromene-2-thione. Acta Crystallographica Section E, 60, 2004, o2168.
  • P. Munshi, K. N. Venugopala, B. S. Jayashree, and T. N. Guru Row, Concomitant Polymorphism in 3-acetylcoumarin: Role of Weak C-H…O and C-H…p Interactions. (Communn). Crystal Growth & Design, 4(6), 2004, 1105-1107.
  •  P. Munshi & T. N. Guru Row, Electron Density Study of 2H-chromene-2-thione. Acta Crystallographica Section B, 58, 2002, 1011-1017.
  • P. Munshi & T. N. Guru Row, 2H-Thiochromene-2-one. Acta Crystallographica Section E, 58, 2002, o353.
  • P. Munshi & T. N. Guru Row, Experimental charge density analysis on modified coumarins: topological properties. Acta Crystallographica Section A, 58, 2002, C354.
  • P. Munshi & T. N. Guru Row, 2H-Chromene-2-thione. Acta Crystallographica Section E, 57, 2001, o1175.
  • S. Rath, D. Maiti, M. Modi, P. Pal, S. Munan, B. Mohanty, A. Bhatia, R. Bhowal, R. Priyadarshini, A. Samanta, P. Munshi*, S. Sen*, “Metal-free synthesis and study of glycine betaine derivatives in water for antimicrobial and anticancer applications.” iScience, 2023, Accepted on 30 June.
  • K. K. Jha, A. Kumar, P. Munshi*, “Solvatochromism and reversible solvent exchange phenomena in solvatomorphic organic chromophore crystals” Crystal Growth & Design,2023, 23(4), 2922–2931.
  • L. Singla^, A. Kumar^, C. Robertson*, P. Munshi*, A. R. Choudhury*, "Investigation of C-F•••F-C interactions using experimental and theoretical charge density analyses" Crystal Growth & Design,2023, 23(2), 853-861. ^Equal contributions.
  • A. Kumar, B. Mohanty, P. Munshi* "Probing diversity in binding affinities of polymorphs of an anticancer agent against human γ-enolase - A quantum crystallographic perspective" Crystal Growth & Design, 2023, 23(1), 580-591.
  • A. Kumar, J. Chauhan, K. Dubey, S. Sen, P. Munshi*, "Tuning potency of bioactive molecules via polymorphic modifications: A case study", Mol. Pharmaceutics, 2022, 19(3), 1008–1018.
  • S. Dutta, Vikas, T. Vijayakanth, and P. Munshi*, “Ferroelectricity and negative thermal expansion in a purely organic single-component material.” ACS Appl. Electron. Mater. 2021, 3(8), 3633–3640.
  • S. K. Mandal and P. Munshi*, “Predicting accurate lead structures for screening molecular libraries: a quantum crystallographic approach” Molecules 2021, 26(9), 2605-2621.
  • S. Dutta and P. Munshi* “Thermo-responsive single-component organic materials: Iso-symmetric phase transition, polymorphism and negative thermal expansion” Acta Cryst. 2021, A77, C1016.
  • P. Munshi*, S. Dutta, A. Kumar, “understanding the proton tautomerism mechanism in organic molecular ferroelectrics: Insights from quantum crystallography” Acta Cryst. 2021, A77, C913.
  • A. Kumar, J. Chauhan, K. D. Dubey, S. Sen, P Munshi*, importance of polymorphism in improving the potency of bioactive molecules” Acta Cryst. 2021, A77, C891.
  • S. Dutta and P. Munshi* "Unusual Anisotropic Thermal Expansions with Reversible Axial Switching and Record-Wide Thermal Hysteresis in Single-Component Purely Organic Molecular Crystals" J. Phys. Chem. C., 2020, 124, 27413 - 27421.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic Approaches" CrystEngComm, 2020, 22, 4363-4373.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic Approaches" CrystEngComm, Cover page, 2020, 22, 4501.
  • S. K. Mandal, P. Munshi, “Predicting Lead Structure(s) for Molecular Library Screening Using Molecular Docking and Quantum Crystallography”, SSRN 3532904, 2020.
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-Organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun. 2019, 55, 9610-9613.
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-Organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun, Cover page, 2019, 55, 9572.
  • K. K. Jha, Y. Yadav, S. B. Srivastava, D. Chakraborty, P. Johari, S. P. Singh and P. Munshi* "Structure-property Relationship in an Organic Semiconductor: Insights from Energy Frameworks, Charge Density Analysis and Diode Device" Cryst. Growth Des. 2019, 19(5), 3019-3029.
  • K. K. Jha, S. Dutta, S. Sar, S. Sen, and P. Munshi* “Harnessing Sun for Catalyst and Sensitizer Free Regio- and Stereo-selective [2+2] Cycloaddition” Tetrahedron, 2018, 74(51), 7326-7334.
  • A. Iruthayaraj, K. Chinnasamy, K. K. Jha, M. S. Pavan, P. Munshi, and P. Kumaradhas “Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis” J. Mol. Struc., 2018, 1180, 683-697.
  • D. Jayatilaka*, K. K. Jha and P. Munshi* “Is it reasonable to obtain information on the polarizability and hyperpolarizability from the electron density?” Aust. J. Chem. 2018, 71(4) 295-306.
  • K. K. Jha, S. Dutta, and P. Munshi* "Concomitance, reversibility and switching ability of centrosymmetric and non-centrosymmetric crystal forms: Polymorphism in an organic NLO material" Cryst. Growth Des. 2018,18(2), 1126–1135.
  • Note: This article has been selected as a Highlighted article - Editor’s choice.
  • G. Singh, P. Kalra, A. Arora, A. Singh, G. Sharma, I. K. Maurya, S. Dutta, P. Munshi, V. Verma "Acetylenic Indole‐Encapsulated Schiff Bases: Synthesis, In Silico Studies as Potent Antimicrobial Agents, Cytotoxic Evaluation and Synergistic Effects" ChemistrySelect, 2018, 3(8), 2366-2375.
  • S. K. Mandal, P. Saha, P. Munshi,* N. Sukumar “Exploring Potent Ligand for Proteins: Insights from Knowledge-based Scoring Functions and Molecular Interaction Energies”, Structural Chemistry, 2017, 28(5), 1537-1552.
  • V. Kumar, R. Thaimattam, S. Dutta, P. Munshi, A. Ramanan “Structural landscape of multicomponent solids based on sulfa drugs”, CrystEngComm, 2017, 19, 2914-2924. 
  • K. K. Jha, S. B. Srivastava, S. P. Singh and P. Munshi* “Efficient organic NLO material: charge-density analysis and device fabrication” Acta Cryst. 2017, A73, C800.
  • S. K. Mandal, B. Guillot and P. Munshi* “Topological analysis of hydrogen bonds and interaction energies in proteins” Acta Cryst. 2017, A73, C573.
  • S. Dutta, A. Menon and P. Munshi* “Exploring ferroelectricity in organic salts or co-crystals” Acta Cryst. 2017, A73, C726.
  • E. Sangtani, K. Jha, P. Munshi and R. Gonnade “Co-crystals/salts of furosemide: interesting case of colour co-crystal polymorphism” Acta Cryst. 2017, A73, C724.
  • P. Munshi* “Charge-density studies in small molecules and proteins: sources and detectors” Acta Cryst. 2017, A73, C1387.
  • E. Sangtani, S. K. Mandal, A. S. Sreelakshmi, P. Munshi, R. Gonnade "Salts and Cocrystals of Furosemide with Pyridines: Differences in π-Stacking and Color Polymorphism". Crystal Growth & Design, 2017, 17 (6), 3071–3087.
  • N. Kumar, S. Hati, P. Munshi, S. Sen, S. Sehrawat, S Singh "A novel spiroindoline targets cell cycle and migration via modulation of microtubule cytoskeleton" Molecular Cell Biochemistry, 2017, 429(1-2), 11-21.
  • P. K. Dutta, A. Majumder, S. Dutta, B. B. Dhar, P. Munshi, S. Sen,” Solvent free, palladium catalyzed highly facile synthesis of diaryl disulfides from aryl thiols” Tetrahedron Letter, 2017, 58, 527-530.
  • K. K. Jha, S. Dutta, V. Kumar, P. Munshi*, “Isostructural Polymorphs: Qualitative Insights from Energy Frameworks” CrystEngComm, 2016, 18, 8497-8505.
  • S Hati, P Kumar Dutta, S Dutta, P Munshi, S Sen, “Accessing Benzimidazoles via a Ring Distortion Strategy: An Oxone Mediated Tandem Reaction of 2-Aminobenzylamines” Organic Letter, 2016, 18 (13), 3090-3093.
  • C. Bathula, S. Tripathi, R. Srinivasan, K. K. Jha, A. Ganguli, G. Chakrabarti, S. Singh, P. Munshi, S. Sen “Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent” Organic & Biomolecular Chemistry, 2016, 14, 8053-8063.
  • R. Mamidala, P. Majumdar, K. K. Jha, C. Bathula, R. Agarwal, M. T. Charya, H. Mazumdar, P. Munshi, S. Sen, "Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors". Scientific Report, 2016, 6, 28120.
  • E. Sangtani, S. K. Sahu, S. H. Thorat, R. L. Gawade, K. K. Jha, P. Munshi, R. Gonnade "Furosemide Cocrystals with Pyridines: An Interesting Case of Color Co-crystal Polymorphism". Crystal Growth & Design, 2015, 15, 5858 - 5872.
  • C. Bathula, P. Dangi, S. Hati, R. Agarwal, P. Munshi, S. Singh, S. Sen “Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategy” New Journal of Chemistry, 2015, 39, 9281.
  • C. Bathula, R. Mamidala, C. Thulluri, R. Agarwal, K. K. Jha, P. Munshi, U. Adepally, A. Singh, M. Thirumalachary, S. Sen “Substituted furopyridinediones as novel inhibitors of α-glucosidase”. RSC Advances, 2015, 5, 90374.
  • A. C. Shaikh, D. S. Ranade, S. Thorat, A. Maity, P. P. Kulkarni, R. G. Gonnade, P. Munshi and N. T. Patil "Highly Emissive Organic Solids with Remarkably Broad Color Tunability Based on N, C-Chelate Four-Coordinate Organoborons”. ChemComm, 2015, 51, 16115.
  • B. Zarychta, A. Lyubimov, M. Ahmed, P. Munshi, B. Guillot, A. Vrielink, C. Jelsch. “Ultra-high resolution crystal structure and charge density study of cholesterol oxidase”. Acta Crystallographica Section D, 2015, 71, 954.
  • G. Prabhu, S. Agarwal, V. Sharma, S. M. Madurkar, P. Munshi, S. Singh, S. Sen. “A natural product based DOS library of hybrid systems” European Journal Medicinal Chemistry, 2015, 95, 41.
  • P. Munshi, E. Snell, M. van der Woerd, R. Judge, D. Myles, Z. Ren, F. Meilleur, “Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant.” Acta Crystallographica Section D, 2014, 70, 414.
  • P. Munshi* & K. K. Jha “Exploring Charge Transfer Mechanism in Organic NLO (Polymorphic) Materials”, Acta Crystallographica Section A, 2014, 70, C378.
  • P. Munshi, C. B. Stanley, S. Ghimire-Rijal, Xun Lu, D. A. Myles, M. J. Cuneo, “Molecular detail of ligand selectivity determinants in a promiscous b-glucan periplasmic binding protein.” BMC Structural Biology, 2013, 13:18.
  • F. Meilleur, P. Munshi, L. Robertson, A. Stoica, L. Crow, A. Kovalevsky, T. Koritsanszky, B. C. Chakoumakos, R. Blessing, D. A. A. Myles, “IMAGINE: first neutron protein structure and new capabilities for neutron macromolecular crystallography.” Acta Crystallographica Section D, 2013, 69, 2157 - 2160.
  • P. Munshi, S-L. Chung, M. P. Blakely, K. Weiss, D. A. Myles, F. Meilleur, “Rapid visualization of hydrogen positions in protein neutron crystallography structures.” Acta Crystallographica Section D, 2012, 63, 35 - 41.
  • V. Hathwar, R. G. Gonnade, P. Munshi, M. M. Bhadbhade, T. N. Guru Row, “Halogen bonding in 2, 5-dichloro-1, 4-benzoquinone: Insights from experimental and theoretical charge density analysis.” Crystal Growth & Design, 2011, 11(5), 1855 - 1862.
  • S. Domagala, P. Munshi, M. Ahmed, B. Guillot, C. Jelsch, “Structural analysis and multipole modelling of quercetin monohydrate - A quantitative and comparative study.” Acta Crystallographica Section B, 2011, 67, 63 - 78.
  • P. Munshi, C. Jelsch, V. Hathwar, T. N. Guru Row, “Experimental and Theoretical Charge Density Analyses on Polymorphic Structures: A Case of Coumarin 314 dye.” Crystal Growth & Design, 10(4), 2010, 1516-1526; Corrections, 10(10), 2010, 4670.
  • D. Jayatilaka, P. Munshi, M. Turner, J. A. K. Howard, M. A. Spackman, “Refractive indices for molecular crystals from the response of X-ray constrained Hartree–Fock wavefunctions.” Physical Chemistry Chemical Physics, 11, 2009, 7209-7218.
  • P. Munshi, B. Guillot, D. Liebschner, C. Jelsch, Quantitaive analysis of atomic polarization in protein human aldose reductase. Acta Crystallographica Section A, 65, 2009, s172.
  • C. Jelsch, S. Domagala, B. Zarychta, C. Lecomte, B. Guillot, P. Munshi, Assesment of electron density refinement quality using free R-factors and restraints. Acta Crystallographica Section A, 65, 2009, s76.
  • P. Munshi, A. O. Madsen, M. A. Spackman, S. Larsen and R. Destro, “Estimated hydrogen anisotropic displacement parameters: A comparison between different methods and with neutron diffraction results.” Acta Crystallographica Section A, 64, 2008, 465-475.
  • P. Munshi, B. W. Skelton, J. J. Mckinon, and M. A. Spackman, “Polymorphism in 3-methyl-4-methoxy-4¢-nitrosilbene, A Highly Active NLO Material.” CrystEngComm, 10, 2008, 197-206.
  • P. Munshi, B. Dittrich, M. A. Spackman, D. Jayatilaka, and L. H. Rees, Estimation of optical properties from wavefunction fitting of X-ray diffraction data. Acta Crystallographica Section A, 64, 2008, C128.
  • M. M. Bhadbhade, R. G. Gonnade, P. Munshi, T. N. Guru Row, Charge density studies on halogen bonding interactions. Acta Crystallographica Section A, 64, 2008, C568.
  • M. A. Spackman, P. Munshi and D. Jayatilaka, “The Use of Dipole Lattice Sums to Estimate Electric Fields and Dipole Moment Enhancement in Molecular Crystals.” Chemical Physics Letters, 443, 2007, 87-91.
  • M. A. Spackman, P. Munshi and B. Dittrich, “Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data.” (mini review). A European Journal of Chemical Physics and Physical Chemistry, 8, 2007, 2051-2063.
  • B. Dittrich, P. Munshi and M. A. Spackman, Redetermination, Invariom-model and Multipole Refinement of l-orthinine Hydrochloride. Acta Crystallographica Section B, 63, 2007, 505-509.
  • P. Munshi, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and T. S. Cameron, Investigation of Inter-ion Interactions in N,N,N'N'-tetramethylethlenediammonium dithiocyanate via Experimental and Theoretical Charge Density Studies. The Journal of Physical Chemistry A, 111(32), 2007, 7888-7897.
  • B. Dittrich, P. Munshi and M. A. Spackman, Invariom-model Refinement of l-valinol. Acta Crystallographica Section C, 62, 2006,o633-o635.
  • P. Munshi & T. N. Guru Row, Intra and Intermolecular Interactions in Small Bioactive Molecules: Cooperative Features from Experimental and Theoretical Charge Density Analysis. Acta Crystallographica Section B, 62, 2006, 612-626.
  • P. Munshi & T. N. Guru Row, Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-acetylcoumarin, A Case of Packing Polymorphism. Crystal Growth & Design, 6(3), 2006, 708-718.
  • P. Munshi, T. S. Thakur, T. N. Guru Row, and G. R. Desiraju, Five Varieties of Hydrogen Bonds in 1-Formyl-3-Thiosemicarbazide. An Electron Density Study. Acta Crystallographica Section B, 62, 2006, 118-127.
  • P. Munshi & T. N. Guru Row, Charge Density Based Classification of Intermolecular Interactions in Molecular Crystals. CrystEngComm, 7(100), 2005, 608-611.
  • P. Munshi & T. N. Guru Row, Evaluation of Intermolecular Interactions in Molecular Crystals via Experimental and Theoretical Charge Densities. Crystallography Reviews, 11(3), 2005, 199-241.
  • P. Munshi & T. N. Guru Row, Exploring the Lower Limit in Hydrogen Bonds: Analysis of Weak C-H...O and C-H...p Interactions in Substituted Coumarins from Charge Density Analysis. The Journal of Physical Chemistry A, 109(4), 2005, 659-672.
  • P. Munshi & T. N. Guru Row, Topological analysis of charge densities in polymorphs of 3-acetylcoumarin. Acta Crystallographica Section A, 61, 2005, C423-C424.
  • T. S. Cameron, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and P. Munshi, Examination of all inter-ion interactions in (CH3)2N(H)CH2CH2N(H)(CH3)2(SCN)2. Acta Crystallographica Section A, 61, 2005, C428.
  • P. Munshi & T. N. Guru Row, 2H-Thiochromene-2-thione. Acta Crystallographica Section E, 60, 2004, o2168.
  • P. Munshi, K. N. Venugopala, B. S. Jayashree, and T. N. Guru Row, Concomitant Polymorphism in 3-acetylcoumarin: Role of Weak C-H…O and C-H…p Interactions. (Communn). Crystal Growth & Design, 4(6), 2004, 1105-1107.
  •  P. Munshi & T. N. Guru Row, Electron Density Study of 2H-chromene-2-thione. Acta Crystallographica Section B, 58, 2002, 1011-1017.
  • P. Munshi & T. N. Guru Row, 2H-Thiochromene-2-one. Acta Crystallographica Section E, 58, 2002, o353.
  • P. Munshi & T. N. Guru Row, Experimental charge density analysis on modified coumarins: topological properties. Acta Crystallographica Section A, 58, 2002, C354.
  • P. Munshi & T. N. Guru Row, 2H-Chromene-2-thione. Acta Crystallographica Section E, 57, 2001, o1175.
  • S. Rath, D. Maiti, M. Modi, P. Pal, S. Munan, B. Mohanty, A. Bhatia, R. Bhowal, R. Priyadarshini, A. Samanta, P. Munshi*, S. Sen*, “Metal-free synthesis and study of glycine betaine derivatives in water for antimicrobial and anticancer applications.” iScience, 2023, Accepted on 30 June.
  • K. K. Jha, A. Kumar, P. Munshi*, “Solvatochromism and reversible solvent exchange phenomena in solvatomorphic organic chromophore crystals” Crystal Growth & Design,2023, 23(4), 2922–2931.
  • L. Singla^, A. Kumar^, C. Robertson*, P. Munshi*, A. R. Choudhury*, "Investigation of C-F•••F-C interactions using experimental and theoretical charge density analyses" Crystal Growth & Design,2023, 23(2), 853-861. ^Equal contributions.
  • A. Kumar, B. Mohanty, P. Munshi* "Probing diversity in binding affinities of polymorphs of an anticancer agent against human γ-enolase - A quantum crystallographic perspective" Crystal Growth & Design, 2023, 23(1), 580-591.
  • A. Kumar, J. Chauhan, K. Dubey, S. Sen, P. Munshi*, "Tuning potency of bioactive molecules via polymorphic modifications: A case study", Mol. Pharmaceutics, 2022, 19(3), 1008–1018.
  • S. Dutta, Vikas, T. Vijayakanth, and P. Munshi*, “Ferroelectricity and negative thermal expansion in a purely organic single-component material.” ACS Appl. Electron. Mater. 2021, 3(8), 3633–3640.
  • S. K. Mandal and P. Munshi*, “Predicting accurate lead structures for screening molecular libraries: a quantum crystallographic approach” Molecules 2021, 26(9), 2605-2621.
  • S. Dutta and P. Munshi* “Thermo-responsive single-component organic materials: Iso-symmetric phase transition, polymorphism and negative thermal expansion” Acta Cryst. 2021, A77, C1016.
  • P. Munshi*, S. Dutta, A. Kumar, “understanding the proton tautomerism mechanism in organic molecular ferroelectrics: Insights from quantum crystallography” Acta Cryst. 2021, A77, C913.
  • A. Kumar, J. Chauhan, K. D. Dubey, S. Sen, P Munshi*, importance of polymorphism in improving the potency of bioactive molecules” Acta Cryst. 2021, A77, C891.
  • S. Dutta and P. Munshi* "Unusual Anisotropic Thermal Expansions with Reversible Axial Switching and Record-Wide Thermal Hysteresis in Single-Component Purely Organic Molecular Crystals" J. Phys. Chem. C., 2020, 124, 27413 - 27421.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic Approaches" CrystEngComm, 2020, 22, 4363-4373.
  • S. K. Mandal, B. Guilot, P. Munshi* "Electron Density Based Analysis of N-H∙∙∙O=C Hydrogen Bonds and Electrostatic Interaction Energies in High-resolution Secondary Protein Structures: Insights from Quantum Crystallographic Approaches" CrystEngComm, Cover page, 2020, 22, 4501.
  • S. K. Mandal, P. Munshi, “Predicting Lead Structure(s) for Molecular Library Screening Using Molecular Docking and Quantum Crystallography”, SSRN 3532904, 2020.
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-Organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun. 2019, 55, 9610-9613.
  • S. Dutta, Vikas, A. Yadav, R. Boomishankar, A. Bala, V. Kumar, T. Chakraborty, S. Elizabeth, and P. Munshi* "Record-high Thermal Stability Achieved in a Novel Single-Component All-Organic Ferroelectric Crystal Exhibiting Polymorphism" Chem. Commun, Cover page, 2019, 55, 9572.
  • K. K. Jha, Y. Yadav, S. B. Srivastava, D. Chakraborty, P. Johari, S. P. Singh and P. Munshi* "Structure-property Relationship in an Organic Semiconductor: Insights from Energy Frameworks, Charge Density Analysis and Diode Device" Cryst. Growth Des. 2019, 19(5), 3019-3029.
  • K. K. Jha, S. Dutta, S. Sar, S. Sen, and P. Munshi* “Harnessing Sun for Catalyst and Sensitizer Free Regio- and Stereo-selective [2+2] Cycloaddition” Tetrahedron, 2018, 74(51), 7326-7334.
  • A. Iruthayaraj, K. Chinnasamy, K. K. Jha, M. S. Pavan, P. Munshi, and P. Kumaradhas “Topology of electron density and electrostatic potential of HIV reverse transcriptase inhibitor zidovudine from high resolution X-ray diffraction and charge density analysis” J. Mol. Struc., 2018, 1180, 683-697.
  • D. Jayatilaka*, K. K. Jha and P. Munshi* “Is it reasonable to obtain information on the polarizability and hyperpolarizability from the electron density?” Aust. J. Chem. 2018, 71(4) 295-306.
  • K. K. Jha, S. Dutta, and P. Munshi* "Concomitance, reversibility and switching ability of centrosymmetric and non-centrosymmetric crystal forms: Polymorphism in an organic NLO material" Cryst. Growth Des. 2018,18(2), 1126–1135.
  • Note: This article has been selected as a Highlighted article - Editor’s choice.
  • G. Singh, P. Kalra, A. Arora, A. Singh, G. Sharma, I. K. Maurya, S. Dutta, P. Munshi, V. Verma "Acetylenic Indole‐Encapsulated Schiff Bases: Synthesis, In Silico Studies as Potent Antimicrobial Agents, Cytotoxic Evaluation and Synergistic Effects" ChemistrySelect, 2018, 3(8), 2366-2375.
  • S. K. Mandal, P. Saha, P. Munshi,* N. Sukumar “Exploring Potent Ligand for Proteins: Insights from Knowledge-based Scoring Functions and Molecular Interaction Energies”, Structural Chemistry, 2017, 28(5), 1537-1552.
  • V. Kumar, R. Thaimattam, S. Dutta, P. Munshi, A. Ramanan “Structural landscape of multicomponent solids based on sulfa drugs”, CrystEngComm, 2017, 19, 2914-2924. 
  • K. K. Jha, S. B. Srivastava, S. P. Singh and P. Munshi* “Efficient organic NLO material: charge-density analysis and device fabrication” Acta Cryst. 2017, A73, C800.
  • S. K. Mandal, B. Guillot and P. Munshi* “Topological analysis of hydrogen bonds and interaction energies in proteins” Acta Cryst. 2017, A73, C573.
  • S. Dutta, A. Menon and P. Munshi* “Exploring ferroelectricity in organic salts or co-crystals” Acta Cryst. 2017, A73, C726.
  • E. Sangtani, K. Jha, P. Munshi and R. Gonnade “Co-crystals/salts of furosemide: interesting case of colour co-crystal polymorphism” Acta Cryst. 2017, A73, C724.
  • P. Munshi* “Charge-density studies in small molecules and proteins: sources and detectors” Acta Cryst. 2017, A73, C1387.
  • E. Sangtani, S. K. Mandal, A. S. Sreelakshmi, P. Munshi, R. Gonnade "Salts and Cocrystals of Furosemide with Pyridines: Differences in π-Stacking and Color Polymorphism". Crystal Growth & Design, 2017, 17 (6), 3071–3087.
  • N. Kumar, S. Hati, P. Munshi, S. Sen, S. Sehrawat, S Singh "A novel spiroindoline targets cell cycle and migration via modulation of microtubule cytoskeleton" Molecular Cell Biochemistry, 2017, 429(1-2), 11-21.
  • P. K. Dutta, A. Majumder, S. Dutta, B. B. Dhar, P. Munshi, S. Sen,” Solvent free, palladium catalyzed highly facile synthesis of diaryl disulfides from aryl thiols” Tetrahedron Letter, 2017, 58, 527-530.
  • K. K. Jha, S. Dutta, V. Kumar, P. Munshi*, “Isostructural Polymorphs: Qualitative Insights from Energy Frameworks” CrystEngComm, 2016, 18, 8497-8505.
  • S Hati, P Kumar Dutta, S Dutta, P Munshi, S Sen, “Accessing Benzimidazoles via a Ring Distortion Strategy: An Oxone Mediated Tandem Reaction of 2-Aminobenzylamines” Organic Letter, 2016, 18 (13), 3090-3093.
  • C. Bathula, S. Tripathi, R. Srinivasan, K. K. Jha, A. Ganguli, G. Chakrabarti, S. Singh, P. Munshi, S. Sen “Synthesis of novel 5-arylidenethiazolidinones with apoptotic properties via a three component reaction using piperidine as a bifunctional reagent” Organic & Biomolecular Chemistry, 2016, 14, 8053-8063.
  • R. Mamidala, P. Majumdar, K. K. Jha, C. Bathula, R. Agarwal, M. T. Charya, H. Mazumdar, P. Munshi, S. Sen, "Identification of Leishmania donovani Topoisomerase 1 inhibitors via intuitive scaffold hopping and bioisosteric modification of known Top 1 inhibitors". Scientific Report, 2016, 6, 28120.
  • E. Sangtani, S. K. Sahu, S. H. Thorat, R. L. Gawade, K. K. Jha, P. Munshi, R. Gonnade "Furosemide Cocrystals with Pyridines: An Interesting Case of Color Co-crystal Polymorphism". Crystal Growth & Design, 2015, 15, 5858 - 5872.
  • C. Bathula, P. Dangi, S. Hati, R. Agarwal, P. Munshi, S. Singh, S. Sen “Diverse synthesis of natural product inspired fused and spiro-heterocyclic scaffolds via ring distortion and ring construction strategy” New Journal of Chemistry, 2015, 39, 9281.
  • C. Bathula, R. Mamidala, C. Thulluri, R. Agarwal, K. K. Jha, P. Munshi, U. Adepally, A. Singh, M. Thirumalachary, S. Sen “Substituted furopyridinediones as novel inhibitors of α-glucosidase”. RSC Advances, 2015, 5, 90374.
  • A. C. Shaikh, D. S. Ranade, S. Thorat, A. Maity, P. P. Kulkarni, R. G. Gonnade, P. Munshi and N. T. Patil "Highly Emissive Organic Solids with Remarkably Broad Color Tunability Based on N, C-Chelate Four-Coordinate Organoborons”. ChemComm, 2015, 51, 16115.
  • B. Zarychta, A. Lyubimov, M. Ahmed, P. Munshi, B. Guillot, A. Vrielink, C. Jelsch. “Ultra-high resolution crystal structure and charge density study of cholesterol oxidase”. Acta Crystallographica Section D, 2015, 71, 954.
  • G. Prabhu, S. Agarwal, V. Sharma, S. M. Madurkar, P. Munshi, S. Singh, S. Sen. “A natural product based DOS library of hybrid systems” European Journal Medicinal Chemistry, 2015, 95, 41.
  • P. Munshi, E. Snell, M. van der Woerd, R. Judge, D. Myles, Z. Ren, F. Meilleur, “Neutron structure of the cyclic glucose bound Xylose Isomerase E186Q mutant.” Acta Crystallographica Section D, 2014, 70, 414.
  • P. Munshi* & K. K. Jha “Exploring Charge Transfer Mechanism in Organic NLO (Polymorphic) Materials”, Acta Crystallographica Section A, 2014, 70, C378.
  • P. Munshi, C. B. Stanley, S. Ghimire-Rijal, Xun Lu, D. A. Myles, M. J. Cuneo, “Molecular detail of ligand selectivity determinants in a promiscous b-glucan periplasmic binding protein.” BMC Structural Biology, 2013, 13:18.
  • F. Meilleur, P. Munshi, L. Robertson, A. Stoica, L. Crow, A. Kovalevsky, T. Koritsanszky, B. C. Chakoumakos, R. Blessing, D. A. A. Myles, “IMAGINE: first neutron protein structure and new capabilities for neutron macromolecular crystallography.” Acta Crystallographica Section D, 2013, 69, 2157 - 2160.
  • P. Munshi, S-L. Chung, M. P. Blakely, K. Weiss, D. A. Myles, F. Meilleur, “Rapid visualization of hydrogen positions in protein neutron crystallography structures.” Acta Crystallographica Section D, 2012, 63, 35 - 41.
  • V. Hathwar, R. G. Gonnade, P. Munshi, M. M. Bhadbhade, T. N. Guru Row, “Halogen bonding in 2, 5-dichloro-1, 4-benzoquinone: Insights from experimental and theoretical charge density analysis.” Crystal Growth & Design, 2011, 11(5), 1855 - 1862.
  • S. Domagala, P. Munshi, M. Ahmed, B. Guillot, C. Jelsch, “Structural analysis and multipole modelling of quercetin monohydrate - A quantitative and comparative study.” Acta Crystallographica Section B, 2011, 67, 63 - 78.
  • P. Munshi, C. Jelsch, V. Hathwar, T. N. Guru Row, “Experimental and Theoretical Charge Density Analyses on Polymorphic Structures: A Case of Coumarin 314 dye.” Crystal Growth & Design, 10(4), 2010, 1516-1526; Corrections, 10(10), 2010, 4670.
  • D. Jayatilaka, P. Munshi, M. Turner, J. A. K. Howard, M. A. Spackman, “Refractive indices for molecular crystals from the response of X-ray constrained Hartree–Fock wavefunctions.” Physical Chemistry Chemical Physics, 11, 2009, 7209-7218.
  • P. Munshi, B. Guillot, D. Liebschner, C. Jelsch, Quantitaive analysis of atomic polarization in protein human aldose reductase. Acta Crystallographica Section A, 65, 2009, s172.
  • C. Jelsch, S. Domagala, B. Zarychta, C. Lecomte, B. Guillot, P. Munshi, Assesment of electron density refinement quality using free R-factors and restraints. Acta Crystallographica Section A, 65, 2009, s76.
  • P. Munshi, A. O. Madsen, M. A. Spackman, S. Larsen and R. Destro, “Estimated hydrogen anisotropic displacement parameters: A comparison between different methods and with neutron diffraction results.” Acta Crystallographica Section A, 64, 2008, 465-475.
  • P. Munshi, B. W. Skelton, J. J. Mckinon, and M. A. Spackman, “Polymorphism in 3-methyl-4-methoxy-4¢-nitrosilbene, A Highly Active NLO Material.” CrystEngComm, 10, 2008, 197-206.
  • P. Munshi, B. Dittrich, M. A. Spackman, D. Jayatilaka, and L. H. Rees, Estimation of optical properties from wavefunction fitting of X-ray diffraction data. Acta Crystallographica Section A, 64, 2008, C128.
  • M. M. Bhadbhade, R. G. Gonnade, P. Munshi, T. N. Guru Row, Charge density studies on halogen bonding interactions. Acta Crystallographica Section A, 64, 2008, C568.
  • M. A. Spackman, P. Munshi and D. Jayatilaka, “The Use of Dipole Lattice Sums to Estimate Electric Fields and Dipole Moment Enhancement in Molecular Crystals.” Chemical Physics Letters, 443, 2007, 87-91.
  • M. A. Spackman, P. Munshi and B. Dittrich, “Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data.” (mini review). A European Journal of Chemical Physics and Physical Chemistry, 8, 2007, 2051-2063.
  • B. Dittrich, P. Munshi and M. A. Spackman, Redetermination, Invariom-model and Multipole Refinement of l-orthinine Hydrochloride. Acta Crystallographica Section B, 63, 2007, 505-509.
  • P. Munshi, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and T. S. Cameron, Investigation of Inter-ion Interactions in N,N,N'N'-tetramethylethlenediammonium dithiocyanate via Experimental and Theoretical Charge Density Studies. The Journal of Physical Chemistry A, 111(32), 2007, 7888-7897.
  • B. Dittrich, P. Munshi and M. A. Spackman, Invariom-model Refinement of l-valinol. Acta Crystallographica Section C, 62, 2006,o633-o635.
  • P. Munshi & T. N. Guru Row, Intra and Intermolecular Interactions in Small Bioactive Molecules: Cooperative Features from Experimental and Theoretical Charge Density Analysis. Acta Crystallographica Section B, 62, 2006, 612-626.
  • P. Munshi & T. N. Guru Row, Topological Analysis of Charge Density Distribution in Concomitant Polymorphs of 3-acetylcoumarin, A Case of Packing Polymorphism. Crystal Growth & Design, 6(3), 2006, 708-718.
  • P. Munshi, T. S. Thakur, T. N. Guru Row, and G. R. Desiraju, Five Varieties of Hydrogen Bonds in 1-Formyl-3-Thiosemicarbazide. An Electron Density Study. Acta Crystallographica Section B, 62, 2006, 118-127.
  • P. Munshi & T. N. Guru Row, Charge Density Based Classification of Intermolecular Interactions in Molecular Crystals. CrystEngComm, 7(100), 2005, 608-611.
  • P. Munshi & T. N. Guru Row, Evaluation of Intermolecular Interactions in Molecular Crystals via Experimental and Theoretical Charge Densities. Crystallography Reviews, 11(3), 2005, 199-241.
  • P. Munshi & T. N. Guru Row, Exploring the Lower Limit in Hydrogen Bonds: Analysis of Weak C-H...O and C-H...p Interactions in Substituted Coumarins from Charge Density Analysis. The Journal of Physical Chemistry A, 109(4), 2005, 659-672.
  • P. Munshi & T. N. Guru Row, Topological analysis of charge densities in polymorphs of 3-acetylcoumarin. Acta Crystallographica Section A, 61, 2005, C423-C424.
  • T. S. Cameron, E. M. Cameron, J. D. Ferrara, T. N. Guru Row, and P. Munshi, Examination of all inter-ion interactions in (CH3)2N(H)CH2CH2N(H)(CH3)2(SCN)2. Acta Crystallographica Section A, 61, 2005, C428.
  • P. Munshi & T. N. Guru Row, 2H-Thiochromene-2-thione. Acta Crystallographica Section E, 60, 2004, o2168.
  • P. Munshi, K. N. Venugopala, B. S. Jayashree, and T. N. Guru Row, Concomitant Polymorphism in 3-acetylcoumarin: Role of Weak C-H…O and C-H…p Interactions. (Communn). Crystal Growth & Design, 4(6), 2004, 1105-1107.
  •  P. Munshi & T. N. Guru Row, Electron Density Study of 2H-chromene-2-thione. Acta Crystallographica Section B, 58, 2002, 1011-1017.
  • P. Munshi & T. N. Guru Row, 2H-Thiochromene-2-one. Acta Crystallographica Section E, 58, 2002, o353.
  • P. Munshi & T. N. Guru Row, Experimental charge density analysis on modified coumarins: topological properties. Acta Crystallographica Section A, 58, 2002, C354.
  • P. Munshi & T. N. Guru Row, 2H-Chromene-2-thione. Acta Crystallographica Section E, 57, 2001, o1175.

  • S. Mandal and P. Munshi* “Charge Density Studies and Topological Analysis of Hydrogen Bonds in Proteins” in “Understanding Intermolecular Interactions in the Solid State: Approaches and Techniques”, ed. D. Chopra, Royal Society of Chemistry, UK, 1st edn, 2018, vol. 1, Chapter 6, Print ISBN: 978-1-78801-079-5.

  • Delivered more than 30 talks as Invited speaker and oral presenter in the following conference and organizations:

Sagamore, Warwickshire, UK, Halifax, Canada; National seminar on Crystallography, Kolkata, New Delhi, Mohali, Pune, Bengaluru, Roorkee, Jammu; IUCr, Osaka, Japan, Montreal, Quebec, Canada, Hyderabad; GRC on Electron Distribution & Chemical Bonding, Mount holyoke college, MA, USA; ACA, New Orleans, LA, USA; APS, Chicago, IL, USA; EMCA, Kolkata; IISc., Bangalore; SNIoE Delhi-NCR; Periyar University, Salem; Panjab University, Chandigarh; SEACCE, Colombo, Sri Lanka; CEFMC, Raipur, Pahalgam Kashmir; AsCA2019, Singapore; NCAFM-2019, New Delhi; IIT Kanpur; Goa University; IISER Kolkata, Pune, Mohali; NBU Siliguri, ORNL, TN, USA; Nancy, France; Durham, UK; Italy; University of Warsaw, Poland

Organic Photoswitchable Ferroelectric and Piezoelectric Materials for Next-generation Smart Electronic Devices and Energy Harvesting, Parthapratim Munshi (PI) and Meha Bhogra (Co-PI), SNIoE/FGIR, 10 Lakhs, 2023–2025 (2 years).

Exploring Ferroelectricity in Single-component Organic Molecular Crystals: Cases of Imidazole, Parthapratim Munshi (PI), SERB/CRG, 32.3 Lakhs, 2019 – 2022 (3 years).

Quantitative Studies of Hydrogen Bonding and Electrostatic Interaction Energies In Proteins: Insights from Advanced Charge Density Analysis, Parthapratim Munshi (PI), SERB/EMR, 53 Lakhs, 2015 – 2018 (3 years).

  • Fellow of Royal Society of Chemistry (FRSC), London, UK
  • Member of UC Berkeley’s Executive Leadership Academy (ELA) Alumni, 2021.
  • Member of the Editorial Board of Journal of Molecular Structure – Elsevier, 2022 – 2025.
  • Member of the Advisory Board of CrystEngComm –Royal Society of Chemistry, 2021
  • Editor of Current Indian Science: Crystallography, to be launched by Bentham Science 
  • Member of the Commission on Quantum Crystallography (QCr) of the IUCr
  • Consultant to the Commission on Quantum Crystallography (QCr) of the IUCr
  • Member of National Committee for International Union of Crystallography (IUCr), 2020 – 2023
  • Associate Editor of MOJ Bioorganic & Organic Chemistry published by MedCrave
  • Member of National Program Committee of Indian Crystallography Association
  • Member of Indian Institute of Science Alumni Association
  • Member of Indian Crystallography Association
  • Member of Marie-Curie Alumni Association