classical energy function / utilities xCSZ / free energy calculations / free energy increments / energy minimization / quantum mechanical energy / energy minimizations / energy components / intramolecular non-bonded energy / angle bending energy / solvent-solute energy / potential energy / conformational search / potential energy barriers / host/guest systems / intramolecular energy / torsional energy / bond stretching energy / solvent-solvent energy / stochastic conformational search / Free energy changes / gas phase / energy / /
OperatingSystem
UNIX / Linux / Microsoft Windows / /
Organization
Linux / and Windows William L. Jorgensen Department of Chemistry / Yale University / /
Person
William L. Jorgensen / / /
Product
CM1A / /
ProvinceOrState
Maryland / /
Technology
Linux / UNIX / dielectric / Simulation System / Simulation / Operating Systems / pdf / Metropolis algorithm / /
BOSS, Version 4.6 Biochemical and Organic Simulation System User’s Manual for UNIX, Linux, and Windows William L. Jorgensen