MOLECULAR ELECTROSTATICS

被引:379
作者
NARAYSZABO, G [1 ]
FERENCZY, GG [1 ]
机构
[1] GEDEON RICHTER CHEM WORKS LTD, CHEM WORKS, MOLEC MODELING GRP, H-1475 BUDAPEST, HUNGARY
关键词
D O I
10.1021/cr00036a002
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:829 / 847
页数:19
相关论文
共 283 条
[1]  
ABRAHAM RJ, 1991, J COMPUT AID MOL DES, V5, P21
[2]   SUITABILITY OF THE MP3-DERIVED MOLECULAR ELECTROSTATIC POTENTIALS [J].
ALEMAN, C ;
LUQUE, FJ ;
OROZCO, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1993, 14 (07) :799-808
[3]   A NEW SCALING PROCEDURE TO CORRECT SEMIEMPIRICAL MEP AND MEP-DERIVED PROPERTIES [J].
ALEMAN, C ;
LUQUE, FJ ;
OROZCO, M .
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 1993, 7 (06) :721-742
[4]   COMPARISON OF NDDO AND QUASI-AB INITIO APPROACHES TO COMPUTE SEMIEMPIRICAL MOLECULAR ELECTROSTATIC POTENTIALS [J].
ALHAMBRA, C ;
LUQUE, FJ ;
OROZCO, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1994, 15 (01) :12-22
[5]   COMPARATIVE-STUDY BETWEEN ABINITIO AND SEMIEMPIRICAL ELECTROSTATIC POTENTIALS ON MOLECULAR-SURFACES [J].
ALKORTA, I ;
VILLAR, HO ;
ARTECA, GA .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1993, 14 (05) :530-540
[6]  
ALKORTA I, 1994, J MED CHEM, V37, P205
[7]  
ALLAVENA M, 1991, CHEM PHYS LETT, V168, P461
[8]   SYSTEMATIC ANALYSIS OF STRUCTURAL DATA AS A RESEARCH TECHNIQUE IN ORGANIC-CHEMISTRY [J].
ALLEN, FH ;
KENNARD, O ;
TAYLOR, R .
ACCOUNTS OF CHEMICAL RESEARCH, 1983, 16 (05) :146-153
[9]   COMPARISON OF PROTEIN ELECTROSTATIC POTENTIAL ALONG THE CATALYTIC TRIAD OF SERINE PROTEINASES [J].
ANGYAN, J ;
NARAYSZABO, G .
JOURNAL OF THEORETICAL BIOLOGY, 1983, 103 (03) :349-356
[10]   CALCULATION OF ELECTROSTATIC POTENTIALS AND FIELDS INSIDE ZEOLITE CAVITIES [J].
ANGYAN, JG ;
FERENCZY, G ;
NAGY, P ;
NARAYSZABO, G .
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1988, 53 (10) :2308-2319