CROWN ETHER NEUTRAL MOLECULE INTERACTIONS STUDIED BY MOLECULAR MECHANICS, NORMAL MODE ANALYSIS, AND FREE-ENERGY PERTURBATION CALCULATIONS - NEAR QUANTITATIVE AGREEMENT BETWEEN THEORY AND EXPERIMENTAL BINDING FREE-ENERGIES

被引:83
作者
GROOTENHUIS, PDJ [1 ]
KOLLMAN, PA [1 ]
机构
[1] UNIV CALIF SAN FRANCISCO, DEPT PHARMACEUT CHEM, SAN FRANCISCO, CA 94143 USA
关键词
D O I
10.1021/ja00193a042
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
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页码:4046 / 4051
页数:6
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