Paul A. Bash

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

Martin J. Field, Paul A. Bash, Martin Karplus · Journal of Computational Chemistry · 1990 · 2.5K citations

Engineering, Computational Chemistry, Chemistry +17

Free Energy Calculations by Computer Simulation

Paul A. Bash, U. Chandra Singh, Robert Langridge et al. · Science · 1987 · 413 citations

Engineering, Energy Efficiency, Molecular Biology +21

Calculation of the Relative Change in Binding Free Energy of a Protein-Inhibitor Complex

Paul A. Bash, U. Chandra Singh, Frank K. Brown et al. · Science · 1987 · 323 citations

Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential

Paul A. Bash, Martin J. Field, Martin Karplus · Journal of the American Chemical Society · 1987 · 317 citations

Quantum Dynamic, Engineering, Chemical Analysis +21

Computer simulation and analysis of the reaction pathway of triosephosphate isomerase

Paul A. Bash, Martin J. Field, R. Davenport et al. · Biochemistry · 1991 · 264 citations