期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 12, 期 40, 页码 12899-12908出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c0cp00151a
关键词
-
资金
- NIH [R21GM088517]
- University of Missouri [RB-07-32]
- Research Council [URC 09-004]
- NASA
- Dell
- SGI
- Sun Microsystems
- TimeLogic
- Intel
- NATIONAL INSTITUTE OF GENERAL MEDICAL SCIENCES [R21GM088517] Funding Source: NIH RePORTER
The scoring function is one of the most important components in structure-based drug design. Despite considerable success, accurate and rapid prediction of protein-ligand interactions is still a challenge in molecular docking. In this perspective, we have reviewed three basic types of scoring functions (force-field, empirical, and knowledge-based) and the consensus scoring technique that are used for protein-ligand docking. The commonly-used assessment criteria and publicly available protein-ligand databases for performance evaluation of the scoring functions have also been presented and discussed. We end with a discussion of the challenges faced by existing scoring functions and possible future directions for developing improved scoring functions.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据