Mathew C. Lee

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

Distinguish protein decoys by Using a scoring function based on a new AMBER force field, short molecular dynamics simulations, and the generalized born solvent model

Mathew C. Lee, Yong Duan · Proteins Structure Function and Bioinformatics · 2004 · 271 citations

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