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.
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页码:871 / 878
页数:8
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共 32 条
[21]   HYDROPHOBIC EFFECT ON CHAIN FOLDING - THE TRANS TO GAUCHE ISOMERIZATION OF NORMAL-BUTANE IN WATER [J].
ROSENBERG, RO ;
MIKKILINENI, R ;
BERNE, BJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (26) :7647-7649
[22]   SOLVATION - MOLECULAR-DYNAMICS STUDY OF A DIPEPTIDE IN WATER [J].
ROSSKY, PJ ;
KARPLUS, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (08) :1913-1937
[23]   MOLECULAR-DYNAMICS OF LIQUID ALKANES [J].
RYCKAERT, JP ;
BELLEMANS, A .
FARADAY DISCUSSIONS, 1978, 66 :95-106
[24]  
RYCKAERT JP, 1975, CHEM PHYS LETT, V30, P23
[25]   TIME-DEPENDENCE OF ATOMIC FLUCTUATIONS IN PROTEINS - ANALYSIS OF LOCAL AND COLLECTIVE MOTIONS IN BOVINE PANCREATIC TRYPSIN-INHIBITOR [J].
SWAMINATHAN, S ;
ICHIYE, T ;
VANGUNSTEREN, W ;
KARPLUS, M .
BIOCHEMISTRY, 1982, 21 (21) :5230-5241
[26]   EFFECT OF CONSTRAINTS ON THE DYNAMICS OF MACROMOLECULES [J].
VANGUNSTEREN, WF ;
KARPLUS, M .
MACROMOLECULES, 1982, 15 (06) :1528-1544
[27]   STOCHASTIC DYNAMICS FOR MOLECULES WITH CONSTRAINTS BROWNIAN DYNAMICS OF NORMAL-ALKANES [J].
VANGUNSTEREN, WF ;
BERENDSEN, HJC ;
RULLMANN, JAC .
MOLECULAR PHYSICS, 1981, 44 (01) :69-95
[28]   PROTEIN DYNAMICS IN SOLUTION AND IN A CRYSTALLINE ENVIRONMENT - A MOLECULAR-DYNAMICS STUDY [J].
VANGUNSTEREN, WF ;
KARPLUS, M .
BIOCHEMISTRY, 1982, 21 (10) :2259-2274
[29]   EFFECT OF CONSTRAINTS, SOLVENT AND CRYSTAL ENVIRONMENT ON PROTEIN DYNAMICS [J].
VANGUNSTEREN, WF ;
KARPLUS, M .
NATURE, 1981, 293 (5834) :677-678
[30]  
Watson H.C., 1969, Progress in stereochemistry, V4, P299