Peter A. Kollman

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

Absolute and relative binding free energy calculations of the interaction of biotin and its analogs with streptavidin using molecular dynamics/free energy perturbation approaches

Shuichi Miyamoto, Peter A. Kollman · Proteins Structure Function and Bioinformatics · 1993 · 227 citations

Use of MM-PB/SA in estimating the free energies of proteins: Application to native, intermediates, and unfolded villin headpiece

Matthew R. Lee, Yong Duan, Peter A. Kollman · Proteins Structure Function and Bioinformatics · 2000 · 180 citations

Are time-averaged restraints necessary for nuclear magnetic resonance refinement?

David A. Pearlman, Peter A. Kollman · Journal of Molecular Biology · 1991 · 140 citations

Are Time-averaged Restraints, Engineering, Magnetic Resonance Spectroscopy +7

Insight into the stabilization of A-DNA by specific ion association: spontaneous B-DNA to A-DNA transitions observed in molecular dynamics simulations of d[ACCCGCGGGT]2 in the presence of hexaamminecobalt(III)

Thomas E. Cheatham, Peter A. Kollman · Structure · 1997 · 108 citations · Full text

Specific Ion Association, Chromatin, Natural Sciences +10