SO YOU WANT TO DO MOLECULAR MODELING - A CONSUMERS GUIDE TO DESK-TOP MODELING PROGRAMS FOR THE MACINTOSH

被引:21
作者
BAYS, JP
机构
[1] Saint Mary's College, Notre Dame
关键词
D O I
10.1021/ed069p209
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
[No abstract available]
引用
收藏
页码:209 / 215
页数:7
相关论文
共 9 条
[1]  
BURKERT U, 1982, MOL MECHANICS
[2]   VALIDATION OF THE GENERAL-PURPOSE TRIPOS 5.2 FORCE-FIELD [J].
CLARK, M ;
CRAMER, RD ;
VANOPDENBOSCH, N .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1989, 10 (08) :982-1012
[3]  
Elguero J., 1989, J MOL STRUC-THEOCHEM, V184, P115
[4]  
Gajewski JJ, 1990, ADV MOL MODELING, V2, P65
[5]   A COMPARISON OF CONFORMATIONAL ENERGIES CALCULATED BY MOLECULAR MECHANICS (MM2(85), SYBYL-5.1, SYBYL-5.21, AND CHEMX) AND SEMIEMPIRICAL (AM1 AND PM3) METHODS [J].
GUNDERTOFTE, K ;
PALM, J ;
PETTERSSON, I ;
STAMVIK, A .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (02) :200-208
[6]  
Hirsch J. A., 1967, TOP STEREOCHEM, V3, P199, DOI [10.1002/9780470147108.ch4, DOI 10.1002/9780470147108.CH4]
[7]  
MORLEY SD, 1991, IN PRESS COMPUT AIDE
[8]  
PORTER NA, 1991, J AM CHEM SOC, V113, P2801
[9]  
Vinter J G, 1987, J Comput Aided Mol Des, V1, P31, DOI 10.1007/BF01680556