HOW ACCURATE MUST POTENTIALS BE FOR SUCCESSFUL MODELING OF PROTEIN-FOLDING

被引:61
作者
PANDE, VS [1 ]
GROSBERG, AY [1 ]
TANAKA, T [1 ]
机构
[1] MIT,CTR MAT SCI & ENGN,CAMBRIDGE,MA 02139
关键词
D O I
10.1063/1.470009
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Protein sequences are believed to have been selected to provide the stability of, and reliable renaturation to, an encoded unique spatial fold. In recently proposed theoretical schemes, this selection is modeled as ''minimal frustration,'' or ''optimal energy,'' of the desirable target conformation over all possible sequences, such that the ''design'' of the sequence is governed by the interactions between monomers. With replica mean field theory, we examine the possibility to reconstruct the renaturation, or freezing transition, of the ''designed'' heteropolymer given the inevitable errors in the determination of interaction energies, that is, the difference between sets (matrices) of interactions governing chain design and conformations, respectively We find that the possibility of folding to the designed conformation is controlled by the correlations of the elements of the design and renaturation interaction matrices; unlike random heteropolymers, the ground state of designed heteropolymers is sufficiently stable, such that even a substantial error in the interaction energy should still yield correct renaturation. (C) 1995 American Institute of Physics.
引用
收藏
页码:9482 / 9491
页数:10
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