Publications by authors named "Divesh Bhatt"

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AI-Driven Integration of Transcriptomics, Quantum Mechanics, and Physiology for Predicting Drug-Induced Liver Injury in Data-Limited Scenarios.
Roshan Bhave, Babatunde Bello, Divesh Bhatt, Joseph Machulcz, Jacqueline A R Shea

Chem Res Toxicol· August 2025

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Significance of p53 dynamics in regulating apoptosis in response to ionizing radiation, and polypharmacological strategies.
Bing Liu, Divesh Bhatt, Zoltán N Oltvai, Joel S Greenberger, Ivet Bahar

Sci Rep· September 2014

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An adaptive weighted ensemble procedure for efficient computation of free energies and first passage rates.
Divesh Bhatt, Ivet Bahar

J Chem Phys· September 2012

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Simulations of the alternating access mechanism of the sodium symporter Mhp1.
Joshua L Adelman, Amy L Dale, Matthew C Zwier, Divesh Bhatt, Lillian T Chong

Biophys J· November 2011

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Beyond microscopic reversibility: Are observable non-equilibrium processes precisely reversible?
Divesh Bhatt, Daniel M Zuckerman

J Chem Theory Comput· August 2011

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Heterogeneous path ensembles for conformational transitions in semi-atomistic models of adenylate kinase.
Divesh Bhatt, Daniel M Zuckerman

J Chem Theory Comput· October 2010

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Automated sampling assessment for molecular simulations using the effective sample size.
Xin Zhang, Divesh Bhatt, Daniel M Zuckerman

J Chem Theory Comput· September 2010

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Steady-state simulations using weighted ensemble path sampling.
Divesh Bhatt, Bin W Zhang, Daniel M Zuckerman

J Chem Phys· July 2010

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Absolute free energies and equilibrium ensembles of dense fluids computed from a nondynamic growth method.
Divesh Bhatt, Daniel M Zuckerman

J Chem Phys· December 2009

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General library-based Monte Carlo technique enables equilibrium sampling of semi-atomistic protein models.
Artem B Mamonov, Divesh Bhatt, Derek J Cashman, Ying Ding, Daniel M Zuckerman

J Phys Chem B· August 2009

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Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria.
Neeraj Rai, Divesh Bhatt, J Ilja Siepmann, Laurence E Fried

J Chem Phys· November 2008

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Phase behavior of elemental aluminum using monte carlo simulations.
Divesh Bhatt, Nathan E Schultz, Ahren W Jasper, J Ilja Siepmann, Donald G Truhlar

J Phys Chem B· December 2006

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Critical properties of aluminum.
Divesh Bhatt, Ahren W Jasper, Nathan E Schultz, J Ilja Siepmann, Donald G Truhlar

J Am Chem Soc· April 2006

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