Examining ligand-protein interactions with binding-energy landscapes

被引：7
|
作者：
Rejto, PA [1 ]
Bouzida, D [1 ]
Verkhivker, GM [1 ]
机构：
[1] Agouron Pharmaceut Inc, La Jolla, CA 92037 USA
来源：
THEORETICAL CHEMISTRY ACCOUNTS | 1999年 / 101卷 / 1-3期
关键词：
ligand-protein binding; energy landscapes; molecular recognition; molecular anchor;
D O I：
10.1007/s002140050420
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Binding-energy landscapes are used to investigate the thermodynamics of molecular recognition for the pteridine ring, a recognition anchor in binding with dihydrofolate reductase, and two molecules with the same shape but different heteroatom substitutions. The relative importance of hydrogen bonding and hydrophobic interactions in this system is analyzed by comparing these three different decorations of the pteridine scaffold.
引用
收藏
页码：138 / 142
页数：5
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