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Department of Chemistry
Parthapratim Munshi
Assistant Professor,
Department of Chemistry & Center for Informatics,
School of Natural Sciences
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Education Details
PhD in Crystallography, Supervisor: Prof. T. N. Guru Row, Solid State and Structural Chemistry Unit, Indian Institute of Science (IISc.), Bangalore, India.
M.Sc. North Bengal University, Siliguri, Darjeeling, West Bengal, India
Teaching Responsibilities
UG Courses
CHY 101: Applied Chemistry
CHY 111: Chemical Principle
CHY 211: Chemical Equilibrium
CHY 213: Chemical Analysis lab
CHY 342: Chemistry of Solids and Surfaces

PG Courses
CHY 545: Fundamentals of Crystallography
BIO 521: Structural Biology
CHY 600: Research Methodology
Professional Experience
Assistant Professor, Department of Chemistry, School of Natural Science, Shiv Nadar University

Postdoctoral Research Scientist at Oak Ridge National Laboratory (ORNL), Tennessee, USA

Marie-Curie International Incoming Fellow at Nancy University 1, CNRS, Nancy, France.

Postdoctoral Fellow at the School of Chemistry and Biochemistry, University of Western Australia (UWA), Perth, Australia.
Research Interests
Single crystal X-ray and Neutron diffraction, Crystal growth & design, Chemical and biological crystallography

Molecular crystals, Polymorphs, Medicinal compounds, Protein structures

Charge density analysis, Intermolecular interactions, Halogen bonding, Drug-design, Molecular modelling, Quantum Chemistry
Select Publications
For details please visit

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 Reports (accepted) 2016. Impact Factor: 5.58

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". Cryst. Growth & Des., 2015, 15, 5858 - 5872. Impact Factor: 4.89

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. Impact Factor: 6.83

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 Adv. 2015, 5, 90374. Impact Factor: 3.84

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, 71, 2015, 954. Impact Factor: 7.232

G. Prabhu, S. Agarwal, V. Sharma, S. M. Madurkar, P. Munshi, S. Singh, S. Sen. “A natural product based DOS library of hybrid systems” Eur. J. Med. Chem., 95, 2015, 41. Impact Factor: 3.43

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, 70, 2014, 414. Impact Factor: 7.232

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. Impact Factor: 2.22

F. Meilleur, P. Munshi, A. Kovalevsky, T. Koritsanszky, B. C. Chakoumakos, R. Blessing, D. A. A. Myles, The IMAGINE instrument: first neutron protein structure and new capabilities for neutron macromolecular crystallography, Acta Crystallographica Section D (communication), D, 69, 2013, Impact Factor: 7.232

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, 63, 2012, 35 - 41. Impact Factor: 7.232

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. Impact Factor: 4.558

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. Impact Factor: 2.069

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. Impact Factor: 3.858

M. A. Spackman, P. Munshi and B. Dittrich, Dipole Moment Enhancement in Molecular Crystals from X-ray Diffraction Data. (mini review). ChemPhysChem, 8, 2007, 2051-2063. Impact Factor: 3.360

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. Impact Factor: 2.095

P. Munshi & T. N. Guru Row, Charge Density Based Classification of Intermolecular Interactions in Molecular Crystals. CrystEngComm, 7(100), 2005, 608-611. Impact Factor: 3.858

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. Impact Factor: 2.775

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. Impact Factor: 4.558
National and International Recognition
Science Reviewer of the Oak Ridge National Laboratory’s (ORNL) Neutron Sciences Directorate.
Special Event Award from ORNL for exceptional team work for the commissioning of IMAGINE neutron beam line.
International Travel Support from SERB-DST, India Govt.
Travel Fellowship Awards from the U.S. National Committee for the IUCr-XXII.
Qualified in a global competition among young scientists worldwide to participate in the 60th Meeting of Nobel Laureates at Lindau, Germany.
Marie Curie International Incoming Fellowship within the 7th European Community Framework Programme, France.
Selected Meeting and Conferences
As Invited Speaker

National symposium on X-ray diffraction and Recent Advances in Crystallography (XDRAC2015, Periyar University, Salem, India, 2015.
8th USPEX workshop on Crystal Structure Prediction, Shiv Nadar University, Dadri, India, 2015.
The First International Conference on Emerging Materials: Characterization & Application, Kolkata, India, 2014.
National Seminar on Crystallography-43A, IISER-Mohali, India, 2014.
National Seminar on Crystallography, JNU, New Delhi, India, 2013.
Synchrotron Charge Density School, APS, Chicago, IL, USA, 2013.

As oral/poster presenter

American Crystallographic Association meeting, New Orleans, LA, 2011; Boston, MA, 2012.
European Crystallographic Meeting, Istanbul, Turkey, 2009.
Congress and General Assembly of the International Union of Crystallography, Osaka, Japan, 2008.
ANSTO - AINSE Neutron School on Materials, Sydney, NSW, Australia, 2008.
Gordon Research Conference on Electron Distribution & Chemical Bonding, South Hadley, MA, USA, 2004, 2007.
Sagamore meeting, Warwickshire, UK, 2006.
School of Modelling in Solid State Chemistry, London, UK, 2004.
Congress and General Assembly of the International Union of Crystallography, Geneva, Switzerland, 2002.
Asian Crystallographic Association, Bangalore, India, 2001.
National seminar on Crystallography, Mumbai, India, 2001.


Asian charge density workshop at SSCU, IISc., Bangalore, February 2015.
Smart APEX X-ray diffraction user workshop at IISc., Bangalore, April 2004.
Workshop on structural biology, ORNL, USA, May 2011, June 2012 and June 2013.
National school on neutron and X-ray scattering, ORNL, USA, June 2011 and August 2012.
Executive Summary
Dr. Parthapratim Munshi received his Ph.D. in crystallography under the supervision of Prof. T. N. Guru Row, Solid State and Structural Chemistry Unit, Indian Institute of Science (IISc.), Bangalore. His doctoral research was focused on the study of intermolecular interactions in molecular crystals via experimental and theoretical charge density analysis. Dr. Munshi then carried out his first postdoctoral research in Prof. Mark A Spackman's Group at The University of Western Australia (2005-2008), where he focused on the study of nonlinear optical properties of molecular crystals using both high-resolution X-ray diffraction data and high-level theoretical calculations. Then he was awarded with the Marie Curie International Incoming Fellowship for the period of 2008 - 2010 to work with Dr. Christian Jelsch as a host scientist at the Nancy University 1, Nancy, France. His Marie-Curie project was focused on the charge density analysis of proteins and quantification of atomic polarization and protein-ligand electrostatic interactions using ultra high-resolution crystallography. Prior to joining at SNU, Dr. Munshi worked as a research scientist at the Oak Ridge National Laboratory, TN, USA (2011 - 2013), where he worked in a team led by Dr. Dean A. A. Myles to develop neutron Beamline, IMAGINE for neutron crystallography. Simultaneously, Dr. Munshi also worked on neutron protein crystallography with Dr. Flora Meilleur.

Dr. Munshi has published over 30 research paper in high standard international journals and attended several conferences and meetings around the globe to deliver lectures and present his research works. He also reviewed several research articles published by IUCr, RSC and ACS. Currently, he is a member of science review committee of ORNL neutron sciences directorate, USA. His current research group comprising two PhD students is focusing on chemical and biological crystallography using both X-ray and neutron diffraction methods.

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