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MCPRO, Version 2.0 Monte Carlo Simulations for Biomolecules User’s Manual William L. Jorgensen and Julian Tirado-Rives Department of Chemistry, Yale University
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Document Date: 2005-02-25 15:46:15

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London / /

Company

S & P / ACS / Oxford U. Press / J. Comp / /

Country

United States / /

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particle systems / free energy calculations / free energy increments / energy minimization / solute energy / solvent energy / free energy profiles / energy minimizations / classical potential energy function / concerted rotation algorithm / free energy / energy components / intramolecular non-bonded energy / angle bending energy / potential energy / potential energy barriers / host/guest systems / torsional energy / bond stretching energy / all-atom protein applications / linear interaction energy method / Free energy changes / gas phase / molecular mechanics energy minimizations / energy / /

Organization

Julian Tirado-Rives Department of Chemistry / Yale University / /

Person

Julian Tirado-Rives / Jakob Ulmschneider / William L. Jorgensen / /

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ProvinceOrState

Maryland / /

Technology

sampling algorithms / dielectric / Simulation System / simulation / Operating Systems / concerted rotation algorithm / Metropolis algorithm / /

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