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Suman Kumar Mandal
Suman Kumar Mandal
Research Associate, School of Chemistry, University of Bristol
在 bristol.ac.uk 的电子邮件经过验证
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Salts and cocrystals of furosemide with pyridines: differences in π-stacking and color polymorphism
E Sangtani, SK Mandal, AS Sreelakshmi, P Munshi, RG Gonnade
Crystal Growth & Design 17 (6), 3071-3087, 2017
172017
Electron density based analysis of N–H⋯ O= C hydrogen bonds and electrostatic interaction energies in high-resolution secondary protein structures: insights from quantum …
SK Mandal, B Guillot, P Munshi
CrystEngComm 22 (26), 4363-4373, 2020
82020
Exploring potent ligand for proteins: insights from knowledge-based scoring functions and molecular interaction energies
SK Mandal, P Saha, P Munshi, N Sukumar
Structural Chemistry 28 (5), 1537-1552, 2017
52017
Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic Approach
SK Mandal, P Munshi
Molecules 26 (9), 2605, 2021
22021
Charge Density Studies and Topological Analysis of Hydrogen Bonds in Proteins
SK Mandal, P Munshi
12018
In silico prediction of heme binding in proteins
NA Marson, AE Gallio, SK Mandal, RA Laskowski, EL Raven
Journal of Biological Chemistry 300 (5), 2024
2024
Predicting Lead Structure (s) for Molecular Library Screening Using Molecular Docking and Quantum Crystallography
SK Mandal, P Munshi
Proceedings of International Conference on Drug Discovery (ICDD), 2020
2020
Quantification of Hydrogen Bonds and Interaction Energies in Proteins and Prediction of Potent Ligands: Insights from Quantum Crystallographic Approaches
SK Mandal
Department of Chemistry, Shiv Nadar University, 2020
2020
Topological analysis of hydrogen bonds and interaction energies in proteins
SK Mandal, B Guillot, P Munshi
Acta Crystallographica Section A: Foundations and Advances 73, C573, 2017
2017
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