A NEW MONTE-CARLO METHOD TO STUDY PROTEIN STRUCTURES

被引：16

作者：

GAREL, T ^{[1
]}

NIEL, JC ^{[1
]}

ORLAND, H ^{[1
]}

VELIKSON, B ^{[1
]}

机构：

[1] CENS,INGN PROT LAB,F-91191 GIF SUR YVETTE,FRANCE

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1991年 / 88卷 / 11-12期

关键词：

D O I：

10.1051/jcp/1991882473

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：

We introduce a new Monte Carlo method to study low energy structures of proteins (or, more generally, macromolecules). In contrast to molecular dynamics simulations, no initial guess is imposed. The method uses (i) an atom-by-atom growth procedure of the protein (ii) a protein replication procedure based on Boltzmann weights. Its application to alanine dipeptide and penta-alanine is briefly considered.

引用

页码：2473 / 2478

页数：6

共 10 条

[1] A NEW MONTE-CARLO METHOD TO STUDY PROTEIN STRUCTURES [J].

GAREL, T ;

NIEL, JC ;

ORLAND, H ;

VELIKSON, B .

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1991, 88 (11-12) :2473-2478

[2] GUIDED REPLICATION OF RANDOM CHAINS - A NEW MONTE-CARLO METHOD [J].

GAREL, T ;

ORLAND, H .

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1990, 23 (12) :L621-L626

[3] MOLECULAR-DYNAMICS SIMULATIONS IN BIOLOGY [J].

KARPLUS, M ;

PETSKO, GA .

NATURE, 1990, 347 (6294) :631-639

[4]

KARPLUS M, UNPUB

[5]

Meirovitch H., 1990, International Journal of Modern Physics C (Physics and Computers), V1, P119, DOI 10.1142/S0129183190000062

[6]

NIEL JC, SPHT90137 SACL PREPR

[7]

PETTITT BM, 1985, CHEM PHYS LETT, V121, P194, DOI 10.1016/0009-2614(85)85509-3

[8]

PETTITT BM, 1986, MOL GRAPHICS DRUG DE, P76

[9]

SMITH JE, UNPUB J AM CHEM SOC

[10] A COMPUTER-MODEL TO DYNAMICALLY SIMULATE PROTEIN FOLDING - STUDIES WITH CRAMBIN [J].

WILSON, C ;

DONIACH, S .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1989, 6 (02) :193-209

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