BOSS

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The BOSS (Biochemical and Organic Simulation System) program is a general purpose molecular modeling system that performs molecular mechanics (MM) calculations, Metropolis Monte Carlo (MC) statistical mechanics simulations, and semiempirical AM1, PM3, and PDDG/PM3 quantum mechanics (QM) calculations. The MM calculations cover energy minimizations, normal mode analysis, and conformational searching with the OPLS force fields.

External links

References

  1. William L. Jorgensen, Julian Tirado-Rives "Molecular modeling of organic and biomolecular systems using BOSS and MCPRO", Journal of Computational Chemistry 26 pp. 1689-1700 (2005)