MONTE-CARLO SIMULATION OF MYOGLOBIN PRIMARY TO HELICAL STRUCTURE

被引:1
作者
ANASTASIOU, N
CROXTON, CA
机构
关键词
D O I
10.1080/07391102.1985.10507606
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
A Monte Carlo simulation is presented of the formation of the individual helices of myoblobin from their primary to their helical structures. A simiplified model, in which each amino acid residue is replaced by a single interaction center, is used. The small helices formed are in good agreement with the experiment, while the larger helices are moderately well reproduced.
引用
收藏
页码:871 / 878
页数:8
相关论文
共 32 条
[1]   MOLECULAR-DYNAMICS OF POLYMERIC SYSTEMS [J].
BISHOP, M ;
KALOS, MH ;
FRISCH, HL .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (03) :1299-1304
[2]   SIMULATION OF POLYMER DYNAMICS .1. GENERAL THEORY [J].
FIXMAN, M .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (04) :1527-1537
[3]   SIDE-CHAIN TORSIONAL POTENTIALS - EFFECT OF DIPEPTIDE, PROTEIN, AND SOLVENT ENVIRONMENT [J].
GELIN, BR ;
KARPLUS, M .
BIOCHEMISTRY, 1979, 18 (07) :1256-1268
[4]   SIDECHAIN TORSIONAL POTENTIALS AND MOTION OF AMINO-ACIDS IN PROTEINS - BOVINE PANCREATIC TRYPSIN-INHIBITOR [J].
GELIN, BR ;
KARPLUS, M .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1975, 72 (06) :2002-2006
[5]   MONTE-CARLO COMPUTER-SIMULATION OF WATER AMINO-ACID INTERACTIONS [J].
GOODFELLOW, JM ;
FINNEY, JL ;
BARNES, P .
PROCEEDINGS OF THE ROYAL SOCIETY SERIES B-BIOLOGICAL SCIENCES, 1982, 214 (1195) :213-228
[6]   MONTE-CARLO SIMULATION OF THE SOLVENT STRUCTURE IN CRYSTALS OF A HYDRATED CYCLIC PEPTIDE [J].
HAGLER, AT ;
MOULT, J ;
OSGUTHORPE, DJ .
BIOPOLYMERS, 1980, 19 (02) :395-418
[7]   MONTE-CARLO SIMULATION OF WATER BEHAVIOR AROUND THE DIPEPTIDE N-ACETYLALANYL-N-METHYLAMIDE [J].
HAGLER, AT ;
OSGUTHORPE, DJ ;
ROBSON, B .
SCIENCE, 1980, 208 (4444) :599-601
[9]   PROTEIN STRUCTURAL FLUCTUATIONS DURING A PERIOD OF 100-PS [J].
KARPLUS, M ;
MCCAMMON, JA .
NATURE, 1979, 277 (5697) :578-578