Monte Carlo molecular modelling software

BOSS (molecular mechanics)

Biochemical and Organic Simulation System (BOSS) is a general-purpose molecular modeling program that performs molecular mechanics calculations, Metropolis Monte Carlo statistical mechanics simulations, and semiempirical Austin Model 1 (AM1), PM3, and PDDG/PM3 quantum mechanics calculations. The molecular mechanics calculations cover energy minimizations, normal mode analysis and conformational searching with the Optimized Potentials for Liquid Simulations (OPLS) force fields. BOSS is developed by Prof. William L. Jorgensen at Yale University, and distributed commercially by Cemcomco, LLC and Schrödinger, Inc. (Wikipedia).

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From playlist Mathematics

Related pages

PM3 (chemistry) | Austin Model 1 | Tinker (software) | List of software for Monte Carlo molecular modeling | Abalone (molecular mechanics)