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 | 17 | 2017 |
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 | 8 | 2020 |
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 | 5 | 2017 |
Predicting Accurate Lead Structures for Screening Molecular Libraries: A Quantum Crystallographic Approach SK Mandal, P Munshi Molecules 26 (9), 2605, 2021 | 2 | 2021 |
Charge Density Studies and Topological Analysis of Hydrogen Bonds in Proteins SK Mandal, P Munshi | 1 | 2018 |
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 |