Sayan Mondal

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules

Katarina Roos, Chuanjie Wu, Wolfgang Damm et al. · Journal of Chemical Theory and Computation · 2019 · 1.2K citations

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein–Ligand Binding

Edward B. Miller, Robert B. Murphy, Dan Sindhikara et al. · Journal of Chemical Theory and Computation · 2021 · 184 citations · Full text

A negative correlation between human carotid atherosclerotic plaque progression and plaque wall stress: In vivo MRI-based 2D/3D FSI models

Dalin Tang, Chun Yang, Sayan Mondal et al. · Journal of Biomechanics · 2008 · 128 citations · Full text

Vascular Disease, Plaque Wall Stress, Vascular Image +13

Membrane Driven Spatial Organization of GPCRs

Sayan Mondal, Jennifer M. Johnston, Hao Wang et al. · Scientific Reports · 2013 · 116 citations · Full text

Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT2A Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties

Jufang Shan, George Khelashvili, Sayan Mondal et al. · PLoS Computational Biology · 2012 · 107 citations · Full text