EFFICIENT MONTE-CARLO METHODS FOR THE COMPUTER-SIMULATION OF BIOLOGICAL MOLECULES

被引：101
作者：
BOUZIDA, D
KUMAR, S
SWENDSEN, RH
机构：
[1] CARNEGIE MELLON UNIV, DEPT PHYS, PITTSBURGH, PA 15213 USA
[2] UNIV PITTSBURGH, DEPT BIOL SCI, PITTSBURGH, PA 15260 USA
来源：
PHYSICAL REVIEW A | 1992年 / 45卷 / 12期
关键词：
D O I：
10.1103/PhysRevA.45.8894
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We present an alternative approach to efficient Monte Carlo simulations of biological molecules. By relaxing the usual restriction to Markov processes, we are able to optimize performance while dealing directly with the inhomogeneity and anisotropy inherent in these systems. This approach allows us to sample configurational space more efficiently than with either standard Monte Carlo or molecular-dynamics methods.
引用
收藏
页码：8894 / 8901
页数：8
相关论文
共 50 条
[41]   MONTE-CARLO SIMULATION OF SMALL CLUSTERS OF WATER MOLECULES [J].
WALKER, GH ;
HAMILL, P .
BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1976, 21 (03) :422-422
[42]   MONTE-CARLO SIMULATION FOR CHAIN MOLECULES IN SUPERCRITICAL ETHANE [J].
KOGA, Y ;
IWAI, Y ;
ARAI, Y .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (03) :2283-2288
[43]   COMPUTER-SIMULATION AND THE DESIGN OF NEW BIOLOGICAL MOLECULES [J].
WONG, CF ;
MCCAMMON, JA .
ISRAEL JOURNAL OF CHEMISTRY, 1986, 27 (02) :211-215
[44]   THERMODYNAMIC PROPERTIES OF STOCKMAYER MOLECULES BY MONTE-CARLO SIMULATION [J].
YAO, J ;
GREENKORN, RA ;
CHAO, KC .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (09) :4657-4664
[45]   ACCELERATION METHODS FOR MONTE-CARLO COMPUTER-SIMULATIONS [J].
SWENDSEN, RH .
COMPUTER PHYSICS COMMUNICATIONS, 1991, 65 (1-3) :281-288
[46]   THEORETICAL STUDIES OF LIQUID WATER AND DILUTE AQUEOUS-SOLUTIONS BASED ON MONTE-CARLO COMPUTER-SIMULATION [J].
BEVERIDGE, DL ;
SWAMINATHAN, S ;
MEZEI, M ;
HARRISON, SW .
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1978, 175 (MAR) :42-42
[47]   COMPUTER-SIMULATION OF NEGATIVE-RESISTANCE OSCILLATORS USING A MONTE-CARLO MODEL OF GALLIUM-ARSENIDE [J].
WARRINER, RA .
IEE JOURNAL ON SOLID-STATE AND ELECTRON DEVICES, 1977, 1 (04) :97-104
[48]   CONFORMATIONAL STABILITY AND FLEXIBILITY OF THE ALA DIPEPTIDE IN FREE SPACE AND WATER - MONTE-CARLO COMPUTER-SIMULATION STUDIES [J].
RAVISHANKER, G ;
MEZEI, M ;
BEVERIDGE, DL .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (03) :345-348
[49]   Monte-Carlo methods [J].
Pontikis, V .
THERMODYNAMICS, MICROSTRUCTURES AND PLASTICITY, 2003, 108 :377-392
[50]   COMPUTER-SIMULATION OF A DUAL GATE GAAS FIELD-EFFECT TRANSISTOR USING THE MONTE-CARLO METHOD [J].
MOGLESTUE, C .
IEE JOURNAL ON SOLID-STATE AND ELECTRON DEVICES, 1979, 3 (05) :133-136
12345