Advances and challenges in protein-ligand docking.
Advances and challenges in protein-ligand docking.
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DOI：
10.3390/ijms11083016
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发表时间：
2010-08-18
影响因子：
5.6
通讯作者：
Zou X
中科院分区：
文献类型：
--
作者：
Huang SY;Zou X
Molecular docking is a widely-used computational tool for the study of molecular recognition, which aims to predict the binding mode and binding affinity of a complex formed by two or more constituent molecules with known structures. An important type of molecular docking is protein-ligand docking because of its therapeutic applications in modern structure-based drug design. Here, we review the recent advances of protein flexibility, ligand sampling, and scoring functions—the three important aspects in protein-ligand docking. Challenges and possible future directions are discussed in the Conclusion.
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影响因子：
7.3
作者：
Cozzini P;Kellogg GE;Spyrakis F;Abraham DJ;Costantino G;Emerson A;Fanelli F;Gohlke H;Kuhn LA;Morris GM;Orozco M;Pertinhez TA;Rizzi M;Sotriffer CA
通讯作者：
Sotriffer CA
影响因子：
3
作者：
Chen, Hung-Ming;Liu, Bo-Fu;Ho, Shinn-Ying
通讯作者：
Ho, Shinn-Ying
影响因子：
3.5
作者：
BOHM, HJ
通讯作者：
BOHM, HJ
影响因子：
3
作者：
Cecchini, M;Kolb, P;Caflisch, A
通讯作者：
Caflisch, A
影响因子：
3
作者：
BROOKS, BR;BRUCCOLERI, RE;KARPLUS, M
通讯作者：
KARPLUS, M