S. DeBolt

发表

AMBER: A Program for Simulation of Biological and Organic Molecules

P. Kollman, D. Case, G. Seibel, 2002 .

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

J Skolnick, J. Skolnick, S E DeBolt, 1996, Protein engineering.

AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and energetic properties of molecules

Peter A. Kollman, David A. Case, David A. Pearlman, 1995 .

Reactions of sulfhydryl and sulfide radicals with oxygen, hydrogen sulfide, hydrosulfide, and sulfide: formation of SO2-, HSSH-, HSS.2- and HSS.

M. Sevilla, A. Colson, K. Petit, 1991 .

An electron spin resonance investigation of the structure and formation of sulfinyl radicals: Reaction of peroxyl radicals with thiols

M. Sevilla, D. Becker, S. Swarts, 1989 .

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

Peter A. Kollman, Stephen E. DeBolt, P. Kollman, 1995 .

Derivation of fluorine and hydrogen atom parameters using liquid simulations

Peter A. Kollman, Stephen E. DeBolt, P. Kollman, 1992 .

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

Peter A. Kollman, Stephen E. DeBolt, P. Kollman, 1990 .

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

Peter A. Kollman, Stephen E. DeBolt, P. Kollman, 1993, J. Comput. Chem..

Free energy perturbation calculations on parallel computers: Demonstrations of scalable linear speedup

Peter A. Kollman, David A. Pearlman, Stephen E. DeBolt, 1994, J. Comput. Chem..