Mean-field minimization methods for biological macromolecules

被引:68
作者
Koehl, P [1 ]
Delarue, M [1 ]
机构
[1] INST PASTEUR,UNITE PARASITOL EXPTL,LAB IMMUNOL STRUCT,F-75015 PARIS,FRANCE
关键词
D O I
10.1016/S0959-440X(96)80078-9
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
Simulations of macromolecular structures involve the minimization of a potential-energy function that presents many local minima. Mean-field theory provides a tool that enables us to escape these minima, by enhancing sampling in conformational space. The number of applications of this technique has increased significantly over the past year, enabling problems with protein-homology modelling and inverted protein structure prediction to be solved.
引用
收藏
页码:222 / 226
页数:5
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