| Influence of hydration on the structure of reline deep eutectic solvent: A molecular dynamics study P Kumari, Shobhna, S Kaur, HK Kashyap Acs Omega 3 (11), 15246-15255, 2018 | 140 | 2018 |
| Characterization of different conformations of bovine serum albumin and their propensity to aggregate in the presence of N-cetyl-N, N, N-trimethyl ammonium bromide A Sharma, PK Agarwal, S Deep Journal of colloid and interface science 343 (2), 454-462, 2010 | 44 | 2010 |
| How pure and hydrated reline deep eutectic solvents affect the conformation and stability of lysozyme: Insights from atomistic molecular dynamics simulations P Kumari, M Kumari, HK Kashyap The Journal of Physical Chemistry B 124 (52), 11919-11927, 2020 | 36 | 2020 |
| Impact of amphiphilic molecules on the structure and stability of homogeneous sphingomyelin bilayer: Insights from atomistic simulations P Kumari, S Kaur, S Sharma, HK Kashyap The Journal of Chemical Physics 148 (16), 2018 | 27 | 2018 |
| Sensitivity and resilience of phosphatidylcholine and phosphatidylethanolamine lipid membranes against cholinium glycinate biocompatible ionic liquid P Kumari, HK Kashyap The Journal of Physical Chemistry B 123 (21), 4550-4561, 2019 | 21 | 2019 |
| DMSO induced dehydration of heterogeneous lipid bilayers and its impact on their structures P Kumari, HK Kashyap The Journal of Chemical Physics 151 (21), 2019 | 18 | 2019 |
| Counter-effects of Ethanol and Cholesterol on the Heterogeneous PSM–POPC Lipid Membrane: A Molecular Dynamics Simulation Study P Kumari, M Kumari, HK Kashyap The Journal of Physical Chemistry B 123 (45), 9616-9628, 2019 | 16 | 2019 |
| Structural adaptations in the bovine serum albumin protein in archetypal deep eutectic solvent reline and its aqueous mixtures M Kumari, P Kumari, HK Kashyap Physical Chemistry Chemical Physics 24 (9), 5627-5637, 2022 | 15 | 2022 |
| Coordinated actions of Cas9 HNH and RuvC nuclease domains are regulated by the bridge helix and the target DNA sequence K Babu, V Kathiresan, P Kumari, S Newsom, HP Parameshwaran, X Chen, ... Biochemistry 60 (49), 3783-3800, 2021 | 15 | 2021 |
| Mechanistic evaluation of lipopolysaccharide–alexidine interaction using spectroscopic and in silico approaches P Jagtap, R Mishra, S Khanna, P Kumari, B Mittal, HK Kashyap, S Gupta ACS Infectious Diseases 4 (11), 1546-1552, 2018 | 13 | 2018 |
| Leveraging QM/MM and Molecular Dynamics Simulations to Decipher the Reaction Mechanism of the Cas9 HNH Domain to Investigate Off-Target Effects Y Maghsoud, VM Jayasinghe-Arachchige, P Kumari, GA Cisneros, J Liu J. Chem. Inf. Model. 63 (21), 6834–6850, 2023 | 5 | 2023 |
| Stability of Cytoplasmic Membrane of Escherichia coli Bacteria in Aqueous and Ethanolic Environment Shobhna, A Dutta, P Kumari, HK Kashyap Langmuir, 2024 | | 2024 |
| Identification of New Allosteric Modulators for the mGlu2 Receptor by using a Ligand-based Drug Discovery Approach T Nguyen, P Kumari, E Mathew, J Liu | | 2023 |
| Molecular Docking Studies for Designing and Identification of Novel Bitopic Ligands for Sigma-1 Receptor A Ponce, P Kumari, J Liu | | 2023 |
| Ligand Identification for the Orthosteric site of Sigma 1 Receptor using Computational Molecular Docking and Virtual Screening Methods Z Olson, J Liu, P Kumari | | 2023 |
| Identification of Potential Positive Allosteric Modulators of Sigma-1 Receptor using Computational Molecular Docking and Virtual Screening ZG Olson, P Kumari, J Liu Research Appreciation Day UNTHSC, 2022 | | 2022 |
| Molecular Docking Study of Positive Allosteric Modulators of the Sigma-1 Receptor for the COVID treatment of elderly patients S Contractor, P Kumari, J Liu Research Appreciation Day UNTHSC, 2022 | | 2022 |
| An Investigation of the Allosteric Effects of Agonist and Antagonist Ligands on Sigma-1 Receptor using MD Simulation and Machine Learning Methods P Kumari, J Liu Research Appreciation Day UNTHSC, 2022 | | 2022 |
| Allosteric effects of agonist and antagonist ligands on sigma-1 receptor P Kumari, J Liu ACS Spring 2022, 2022 | | 2022 |
| Effects of small amphiphilic molecules on the structure and stability of Sphingomyelin bilayer: A molecular dynamics study P Kumari, S Kaur, S Sharma, H Kashyap ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Dr. Hemant Kumar KashyapProfessor of Chemistry at Indian Institute of Technology Delhi (IIT Delhi), IndiaVerified email at chemistry.iitd.ac.in
