AN INTERNAL COORDINATE MONTE-CARLO METHOD FOR SEARCHING CONFORMATIONAL SPACE

被引:1196
|
作者
CHANG, G
GUIDA, WC
STILL, WC
机构
[1] COLUMBIA UNIV,DEPT CHEM,NEW YORK,NY 10027
[2] CIBA GEIGY CORP,DIV PHARMACEUT,RES DEPT,SUMMIT,NJ 07901
关键词
D O I
10.1021/ja00194a035
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:4379 / 4386
页数:8
相关论文
共 50 条
  • [31] CONFORMATIONAL PREFERENCE OF CYCLIC THROMBIN INHIBITORS - MONTE-CARLO CONFORMATIONAL SEARCH
    YUE, SY
    SZEWCZUK, Z
    GIBBS, BF
    KONISHI, Y
    [J]. JOURNAL OF CELLULAR BIOCHEMISTRY, 1993, : 227 - 227
  • [32] APPLICATION OF MONTE-CARLO SIMULATED ANNEALING ON CONFORMATIONAL ANALYSIS
    Qiao Lin DENG Yu Zhen HAN Lu Hua LAI Xiao Jie XU You Qi TANG Institute of Physical Chemistry
    [J]. Chinese Chemical Letters, 1991, (10) : 809 - 812
  • [33] MONTE-CARLO STUDIES OF THE CONFORMATIONAL STATISTICS OF POLYMERS POLYETHYLENE
    RAUCCI, R
    VACATELLO, M
    [J]. MAKROMOLEKULARE CHEMIE-THEORY AND SIMULATIONS, 1993, 2 (06): : 875 - 888
  • [34] Conformational flexibility of phycocyanobilin: Monte-Carlo and DFT study
    Tu, Ping-hui
    Yao, Yu-heng
    Li, Yin-li
    Liu, Bo
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 894 (1-3): : 9 - 13
  • [35] MONTE-CARLO ANALYSIS OF CONFORMATIONAL TRANSITIONS IN SUPERHELICAL DNA
    SUN, HZ
    MEZEI, M
    FYE, R
    BENHAM, CJ
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (19): : 8653 - 8665
  • [36] ON A NEW VARIANT OF THE MONTE-CARLO METHOD
    BOROVKOV, KA
    [J]. THEORY OF PROBABILITY AND ITS APPLICATIONS, 1991, 36 (02) : 355 - 360
  • [37] MONTE-CARLO METHOD FOR LANDAU EQUATION
    VOLKOV, IA
    [J]. DOKLADY AKADEMII NAUK SSSR, 1987, 296 (02): : 323 - 326
  • [38] A MONTE-CARLO METHOD FOR POISSON EQUATION
    DELAURENTIS, JM
    ROMERO, LA
    [J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1990, 90 (01) : 123 - 140
  • [39] MONTE-CARLO METHOD AND BERTRAND PARADOX
    GUTER, RS
    MURATOVA, TA
    [J]. INDUSTRIAL LABORATORY, 1970, 36 (05): : 741 - &
  • [40] SOME APPLICATIONS OF THE MONTE-CARLO METHOD
    MURRAY, FJ
    [J]. JOURNAL OF THE OPERATIONS RESEARCH SOCIETY OF AMERICA, 1953, 1 (02): : 75 - 75