Jorgensen William L, Tirado-Rives Julian
Department of Chemistry, Yale University, New Haven, CN 06520-8107, USA.
J Comput Chem. 2005 Dec;26(16):1689-700. doi: 10.1002/jcc.20297.
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.
本文概述了当前版本的BOSS和MCPRO程序在有机和生物分子系统分子建模方面的功能。文中提到了这些程序近期的应用情况，特别是在有机反应和酶促反应的量子力学/分子力学（QM/MM）研究以及蛋白质-配体结合方面的应用。
