SHORT-RANGE AND LONG-RANGE INTERACTIONS IN MONTE-CARLO FREE-ENERGY CALCULATIONS ON POLYPEPTIDE-CHAINS

被引：4
作者：
PREMILAT, S
机构：
来源：
JOURNAL OF CHEMICAL PHYSICS | 1989年 / 90卷 / 09期
关键词：
D O I：
10.1063/1.456555
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：
引用
收藏
页码：5128 / 5134
页数：7
相关论文
共 39 条
[21]   OPTIMIZATION BY SIMULATED ANNEALING [J].
KIRKPATRICK, S ;
GELATT, CD ;
VECCHI, MP .
SCIENCE, 1983, 220 (4598) :671-680
[22]  
LEACH SJ, 1966, BIOPOLYMERS, V4, P360
[23]   THE SURFACE-TENSION OF WATER - A MONTE-CARLO CALCULATION USING AN UMBRELLA SAMPLING ALGORITHM [J].
LEE, CY ;
SCOTT, HL .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09) :4591-4596
[24]   STATISTICAL PROPERTIES OF THE SCANNING SIMULATION METHOD FOR POLYMER-CHAINS [J].
MEIROVITCH, H .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04) :2514-2522
[25]   STABILITY OF POLYPEPTIDE CONFORMATIONAL STATES .2. FOLDING OF A POLYPEPTIDE-CHAIN BY THE SCANNING SIMULATION METHOD, AND CALCULATION OF THE FREE-ENERGY OF THE STATISTICAL COIL [J].
MEIROVITCH, H ;
VASQUEZ, M ;
SCHERAGA, HA .
BIOPOLYMERS, 1988, 27 (08) :1189-1204
[26]   EQUATION OF STATE CALCULATIONS BY FAST COMPUTING MACHINES [J].
METROPOLIS, N ;
ROSENBLUTH, AW ;
ROSENBLUTH, MN ;
TELLER, AH ;
TELLER, E .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (06) :1087-1092
[27]   ENERGY PARAMETERS IN POLYPEPTIDES .7. GEOMETRIC PARAMETERS, PARTIAL ATOMIC CHARGES, NONBONDED INTERACTIONS, HYDROGEN-BOND INTERACTIONS, AND INTRINSIC TORSIONAL POTENTIALS FOR NATURALLY OCCURRING AMINO-ACIDS [J].
MOMANY, FA ;
MCGUIRE, RF ;
BURGESS, AW ;
SCHERAGA, HA .
JOURNAL OF PHYSICAL CHEMISTRY, 1975, 79 (22) :2361-2381
[28]  
OKA M, 1984, J AM CHEM SOC, V106, P7959
[29]  
OLATUNJI OL, 1987, INT J PEPT PROT RES, V29, P1
[30]   A SCREENED ELECTROSTATIC POTENTIAL MODEL OF HYDRATION FOR CONFORMATIONAL-ANALYSIS OF BIOMOLECULES [J].
OLATUNJI, OL ;
PREMILAT, S .
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1985, 126 (01) :247-253
1234