Shibasish Chowdhury

A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations

Yong Duan, Chun Wu, Shibasish Chowdhury et al. · Journal of Computational Chemistry · 2003 · 4.4K citations

Protein Chemistry, Engineering, Molecular Mechanics Models +13

Ab initio Folding Simulation of the Trp-cage Mini-protein Approaches NMR Resolution

Shibasish Chowdhury, Mathew C. Lee, Guoming Xiong et al. · Journal of Molecular Biology · 2003 · 168 citations

Biomolecular Structure Prediction, Protein Folding, Ab Initio +8

Characterizing the Rate-Limiting Step of Trp-Cage Folding by All-Atom Molecular Dynamics Simulations

Shibasish Chowdhury, Mathew C. Lee, Yong Duan · The Journal of Physical Chemistry B · 2004 · 60 citations

Protein Assembly, Biomolecular Structure Prediction, Molecular Biology +26

G-Quadruplex Structure Can Be Stable with Only Some Coordination Sites Being Occupied by Cations:  A Six-Nanosecond Molecular Dynamics Study

Shibasish Chowdhury, Manju Bansal · The Journal of Physical Chemistry B · 2001 · 57 citations

Biophysical Modeling, Supramolecular Assembly, Engineering +18

Breaking non‐native hydrophobic clusters is the rate‐limiting step in the folding of an alanine‐based peptide

Shibasish Chowdhury, Wei Zhang, Chun Wu et al. · Biopolymers · 2002 · 56 citations