Stephen E. DeBolt

Investigation of Structure, Dynamics, and Solvation in 1-Octanol and Its Water-Saturated Solution: Molecular Dynamics and Free-Energy Perturbation Studies

Stephen E. DeBolt, Peter A. Kollman · Journal of the American Chemical Society · 1995 · 167 citations

Natural Sciences, Chemistry, Physics +17

A theoretical examination of solvatochromism and solute-solvent structuring in simple alkyl carbonyl compounds. Simulations using statistical mechanical free energy perturbation methods

Stephen E. DeBolt, Peter A. Kollman · Journal of the American Chemical Society · 1990 · 106 citations

Natural Sciences, Chemistry, Physics +17

Derivation of fluorine and hydrogen atom parameters using liquid simulations

Craig A. Gough, Stephen E. DeBolt, Peter A. Kollman · Journal of Computational Chemistry · 1992 · 70 citations

Natural Sciences, Chemistry, Physics +17

Evaluation of atomic level mean force potentials via inverse folding and inverse refinement of protein structures: atomic burial position and pairwise non-bonded interactions

Stephen E. DeBolt, Jeffrey Skolnick · Protein Engineering Design and Selection · 1996 · 64 citations

Natural Sciences, Biophysics, Chemistry +17

AMBERCUBE MD, parallelization of Amber's molecular dynamics module for distributed‐memory hypercube computers

Stephen E. DeBolt, Peter A. Kollman · Journal of Computational Chemistry · 1993 · 29 citations

Natural Sciences, Chemistry, Physics +15