title: Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.
abstract: An overview is provided of the capabilities for the current versions of the BOSS and MCPRO programs for molecular modeling of organic and biomolecular systems. Recent applications are noted, particularly for QM/MM studies of organic and enzymatic reactions and for protein-ligand binding.
authors.affiliation: Department of Chemistry, Yale University, New Haven, CN 06520-8107, USA. William.Jorgensen@yale.edu
authors.forename: William L
authors.initials: WL
authors.lastname: Jorgensen
authors.forename: Julian
authors.initials: J
authors.lastname: Tirado-Rives
mesh_terms: D002625:Chemistry, Organic; D008954:Models, Biological; D008956:Models, Chemical; D008958:Models, Molecular; D015233:Models, Statistical; D009010:Monte Carlo Method; D055601:Organic Chemistry Phenomena; D011485:Protein Binding; D012984:Software; D013816:Thermodynamics