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Modeling an Enzyme Active Site using Molecular Visualization Freeware
Published on: December 25, 2021
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
William L Jorgensen1, Julian Tirado-Rives
1Department of Chemistry, Yale University, New Haven, CN 06520-8107, USA. William.Jorgensen@yale.edu
Journal of Computational Chemistry
|October 4, 2005
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.
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