THE RIGOROUS COMPUTATION OF THE MOLECULAR ELECTRIC-POTENTIAL

被引:188
作者
ZAUHAR, RJ
MORGAN, RS
机构
[1] CUNY MT SINAI SCH MED,DEPT PHYSIOL & BIOPHYS,NEW YORK,NY 10029
[2] PENN STATE UNIV,DEPT MOLEC & CELL BIOL,UNIVERSITY PK,PA 16802
关键词
D O I
10.1002/jcc.540090209
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:171 / 187
页数:17
相关论文
共 34 条
[1]  
AKIN JE, 1982, APPLICATION IMPLEMEN
[2]  
BREBBIA CA, 1984, NATO ASI SERIES
[3]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[4]  
CONNOLLY M, 1981, QUANTUM CHEM PROGRAM, V1, P74
[5]   MOLECULAR-SURFACE TRIANGULATION [J].
CONNOLLY, ML .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1985, 18 (DEC) :499-505
[6]   THEORETICAL BASIS OF THE EMPIRICAL REACTION FIELD APPROXIMATIONS THROUGH CONTINUUM MODEL [J].
CONSTANCIEL, R .
THEORETICA CHIMICA ACTA, 1986, 69 (5-6) :505-523
[7]  
DUBROVIN BA, 1984, MODERN GEOMETRY ME 1
[8]  
GETZOFF ED, 1983, NATURE, V306, P287, DOI 10.1038/306287a0
[9]  
HORI K, 1987, IN PRESS ANN NY ACAD
[10]   MOLECULAR-CONFORMATION OF THYROTROPIN-RELEASING-HORMONE FROM THE X-RAY STRUCTURAL-ANALYSIS OF ITS TARTRATE [J].
KAMIYA, K ;
TAKAMOTO, M ;
WADA, Y ;
FUJINO, M ;
NISHIKAWA, M .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1980, (10) :438-439