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MCPRO performs Monte Carlo statistical mechanics simulations of peptides, proteins, and nucleic acids in solution; it was derived from BOSS, but makes extensive use of the concept of residues.


  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)

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