How and when does an anticancer drug leave its binding site? P Tiwary, J Mondal, BJ Berne Science advances 3 (5), e1700014, 2017 | 124 | 2017 |
Mechanically-driven phase separation in a growing bacterial colony P Ghosh, J Mondal, E Ben-Jacob, H Levine Proceedings of the National Academy of Sciences 112 (17), E2166-E2173, 2015 | 123 | 2015 |
When does Trimethylamine N-oxide fold a polymer chain and urea unfold it? J Mondal, G Stirnemann, BJ Berne Journal of Physical Chemistry B 117, 8723, 2013 | 122 | 2013 |
Time‐dependent effects of transcription‐ and translation‐halting drugs on the spatial distributions of the Escherichia coli chromosome and ribosomes S Bakshi, H Choi, J Mondal, JC Weisshaar Molecular microbiology 94 (4), 871-887, 2014 | 117 | 2014 |
How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory J Mondal, D Halverson, ITS Li, G Stirnemann, GC Walker, BJ Berne Proceedings of the National Academy of Sciences 112 (30), 9270-9275, 2015 | 113 | 2015 |
Entropy-based mechanism of ribosome-nucleoid segregation in E. coli cells J Mondal, BP Bratton, Y Li, A Yethiraj, JC Weisshaar Biophysical journal 100 (11), 2605-2613, 2011 | 110 | 2011 |
DNA-enabled rational design of fluorescence-Raman bimodal nanoprobes for cancer imaging and therapy S Pal, A Ray, C Andreou, Y Zhou, T Rakshit, M Wlodarczyk, M Maeda, ... Nature communications 10 (1), 1926, 2019 | 95 | 2019 |
Role of water and steric constraints in the kinetics of cavity–ligand unbinding P Tiwary, J Mondal, JA Morrone, BJ Berne Proceedings of the National Academy of Sciences 112 (39), 12015-12019, 2015 | 85 | 2015 |
Role of desolvation in thermodynamics and kinetics of ligand binding to a kinase J Mondal, RA Friesner, BJ Berne Journal of chemical theory and computation 10 (12), 5696-5705, 2014 | 72 | 2014 |
Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme J Mondal, N Ahalawat, S Pandit, LE Kay, P Vallurupalli PLoS computational biology 14 (5), e1006180, 2018 | 67 | 2018 |
Atomistic simulations of poly (ethylene oxide) in water and an ionic liquid at room temperature J Mondal, E Choi, A Yethiraj Macromolecules 47 (1), 438-446, 2014 | 63 | 2014 |
Characterization of interactions between curcumin and different types of lipid bilayers by molecular dynamics simulation Y Lyu, N Xiang, J Mondal, X Zhu, G Narsimhan The Journal of Physical Chemistry B 122 (8), 2341-2354, 2018 | 57 | 2018 |
How hydrophobic drying forces impact the kinetics of molecular recognition J Mondal, JA Morrone, BJ Berne Proceedings of the National Academy of Sciences 110, 13277, 2013 | 51 | 2013 |
Self-Assembly of Gemini Surfactants: A Computer Simulation Study J Mondal, M Mahanthappa, A Yethiraj The Journal of Physical Chemistry B 117 (16), 4254-4262, 2013 | 51 | 2013 |
Membrane-disrupting nanofibrous peptide hydrogels B Sarkar, Z Siddiqui, PK Nguyen, N Dube, W Fu, S Park, S Jaisinghani, ... ACS biomaterials science & engineering 5 (9), 4657-4670, 2019 | 49 | 2019 |
Mapping the substrate recognition pathway in cytochrome P450 N Ahalawat, J Mondal Journal of the American Chemical Society 140 (50), 17743-17752, 2018 | 46 | 2018 |
How a kinase inhibitor withstands gatekeeper residue mutations J Mondal, P Tiwary, BJ Berne Journal of the American Chemical Society 138 (13), 4608-4615, 2016 | 42 | 2016 |
Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants S Roy, D Skoff, D Perroni, J Mondal, A Yethiraj, M Mahanthappa, M Zanni, ... Journal of the American Chemical Society 138 (8), 2472, 2016 | 41 | 2016 |
On the hydrogen evolution reaction activity of graphene–hBN van der Waals heterostructures S Bawari, NM Kaley, S Pal, TV Vineesh, S Ghosh, J Mondal, ... Physical Chemistry Chemical Physics 20 (22), 15007-15014, 2018 | 39 | 2018 |
Driving force for the association of amphiphilic molecules J Mondal, A Yethiraj The Journal of Physical Chemistry Letters 2 (19), 2391-2395, 2011 | 36 | 2011 |