Statistical potentials and scoring functions applied to protein-ligand binding

被引：136

作者：

Gohlke, H ^{[1
]}

Klebe, G ^{[1
]}

机构：

[1] Univ Marburg, Dept Pharmaceut Chem, D-35032 Marburg, Germany

来源：

CURRENT OPINION IN STRUCTURAL BIOLOGY | 2001年 / 11卷 / 02期

关键词：

D O I：

10.1016/S0959-440X(00)00195-0

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

In virtual screening, small-molecule ligands are docked into protein binding sites and their binding affinity is predicted. Knowledge-based, regression-based and first-principle-based methods have been developed to rank computer-generated binding modes. As a result of stilt existing deficiencies, a best compromise might be the combination of several scoring schemes into a consensus scaring approach.

引用

页码：231 / 235

页数：5

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