ATOMIC PHYSICOCHEMICAL PARAMETERS FOR 3-DIMENSIONAL STRUCTURE DIRECTED QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS .3. MODELING HYDROPHOBIC INTERACTIONS

被引:482
作者
GHOSE, AK [1 ]
PRITCHETT, A [1 ]
CRIPPEN, GM [1 ]
机构
[1] UNIV MICHIGAN,COLL PHARM,ANN ARBOR,MI 48109
关键词
D O I
10.1002/jcc.540090111
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:80 / 90
页数:11
相关论文
共 17 条
[1]   CALCULATION OF THE RELATIVE CHANGE IN BINDING FREE-ENERGY OF A PROTEIN-INHIBITOR COMPLEX [J].
BASH, PA ;
SINGH, UC ;
BROWN, FK ;
LANGRIDGE, R ;
KOLLMAN, PA .
SCIENCE, 1987, 235 (4788) :574-576
[2]  
Ben-Naim A., 1980, HYDROPHOBIC INTERACT
[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]  
BROTO P, 1984, EUR J MED CHEM, V19, P61
[5]   GENERAL DISTANCE GEOMETRY 3-DIMENSIONAL RECEPTOR MODEL FOR DIVERSE DIHYDROFOLATE-REDUCTASE INHIBITORS [J].
GHOSE, AK ;
CRIPPEN, GM .
JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (07) :901-914
[6]   USE OF PHYSICOCHEMICAL PARAMETERS IN DISTANCE GEOMETRY AND RELATED 3-DIMENSIONAL QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIPS - A DEMONSTRATION USING ESCHERICHIA-COLI DIHYDROFOLATE-REDUCTASE INHIBITORS [J].
GHOSE, AK ;
CRIPPEN, GM .
JOURNAL OF MEDICINAL CHEMISTRY, 1985, 28 (03) :333-346
[7]   ATOMIC PHYSICOCHEMICAL PARAMETERS FOR 3-DIMENSIONAL-STRUCTURE-DIRECTED QUANTITATIVE STRUCTURE-ACTIVITY-RELATIONSHIPS .2. MODELING DISPERSIVE AND HYDROPHOBIC INTERACTIONS [J].
GHOSE, AK ;
CRIPPEN, GM .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1987, 27 (01) :21-35
[9]  
Glasstone S., 1948, TXB PHYS CHEM, P543
[10]  
Hansch C, 1979, SUBSTITUENT CONSTANT