Predicting protein interactions by Brownian dynamics simulations.
Predicting protein interactions by Brownian dynamics simulations.
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通过布朗动力学模拟预测蛋白质相互作用。
DOI：
10.1155/2012/121034
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发表时间：
2012
影响因子：
--
通讯作者：
Cui M
中科院分区：
文献类型：
--
作者：
Meng XY;Xu Y;Zhang HX;Mezei M;Cui M
We present a newly adapted Brownian-Dynamics (BD)-based protein docking method for predicting native protein complexes. The approach includes global BD conformational sampling, compact complex selection, and local energy minimization. In order to reduce the computational costs for energy evaluations, a shell-based grid force field was developed to represent the receptor protein and solvation effects. The performance of this BD protein docking approach has been evaluated on a test set of 24 crystal protein complexes. Reproduction of experimental structures in the test set indicates the adequate conformational sampling and accurate scoring of this BD protein docking approach. Furthermore, we have developed an approach to account for the flexibility of proteins, which has been successfully applied to reproduce the experimental complex structure from the structure of two unbounded proteins. These results indicate that this adapted BD protein docking approach can be useful for the prediction of protein-protein interactions.
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DOI：
10.1093/protein/gzn056
发表时间：
2008-12
期刊：
Protein engineering, design & selection : PEDS
影响因子：
--
作者：
Cui M;Mezei M;Osman R
通讯作者：
Osman R
DOI：
10.1093/protein/4.8.903
发表时间：
1991-12-01
期刊：
PROTEIN ENGINEERING
影响因子：
--
作者：
MEHLER, EL;SOLMAJER, T
通讯作者：
SOLMAJER, T
影响因子：
5.6
作者：
Gabb, HA;Jackson, RM;Sternberg, MJE
通讯作者：
Sternberg, MJE
影响因子：
3.4
作者：
Fu, W;Cui, M;Chen, KX
通讯作者：
Chen, KX
影响因子：
5.6
作者：
Gray, JJ;Moughon, S;Baker, D
通讯作者：
Baker, D