Jeffrey P. Thompson

APOGEE: Global optimization of standard, generalized, and extended pooling problems via linear and logarithmic partitioning schemes

Ruth Misener, Jeffrey P. Thompson, Christodoulos A. Floudas · Computers & Chemical Engineering · 2011 · 123 citations · Full text

Mathematical Programming, Large-scale Global Optimization, Engineering +11

Forcefield_PTM:<i>Ab Initio</i>Charge and AMBER Forcefield Parameters for Frequently Occurring Post-Translational Modifications

George Khoury, Jeffrey P. Thompson, James B. Smadbeck et al. · Journal of Chemical Theory and Computation · 2013 · 108 citations · Full text

WESTPA 2.0: High-Performance Upgrades for Weighted Ensemble Simulations and Analysis of Longer-Timescale Applications

John D. Russo, She Zhang, Jeremy M. G. Leung et al. · Journal of Chemical Theory and Computation · 2022 · 94 citations · Full text

Cluster Computing, Engineering, Simulation +27

Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories

She Zhang, Jeffrey P. Thompson, Junchao Xia et al. · Journal of Chemical Information and Modeling · 2022 · 37 citations · Full text

CONCORD: a consensus method for protein secondary structure prediction via mixed integer linear optimization

Yinan Wei, Jeffrey P. Thompson, Christodoulos A. Floudas · Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences · 2011 · 31 citations