Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO
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DOI：
10.1002/jcc.20297
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发表时间：
2005-12-01
影响因子：
3
通讯作者：
Tirado-Rives, J
中科院分区：
文献类型：
--
作者：
Jorgensen, WL;Tirado-Rives, J
概述了当前版本的BOSS和MCPRO程序的功能，用于有机和生物分子系统的分子建模。注意到最近的应用，特别是有机和酶促反应的QM/MM研究以及蛋白质-配体结合。(c) 2005 Wiley期刊有限公司
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. (c) 2005 Wiley Periodicals, Inc.