SHAPE GROUP STUDIES OF MOLECULAR SIMILARITY - RELATIVE SHAPES OF VANDERWAALS AND ELECTROSTATIC POTENTIAL SURFACES OF NICOTINIC AGONISTS

被引：54

作者：

ARTECA, GA ^{[1
]}

JAMMAL, VB ^{[1
]}

MEZEY, PG ^{[1
]}

YADAV, JS ^{[1
]}

HERMSMEIER, MA ^{[1
]}

GUND, TM ^{[1
]}

机构：

[1] NEW JERSEY INST TECHNOL,DEPT CHEM ENGN CHEM & ENVIRONM SCI,DIV CHEM,NEWARK,NJ 07102

来源：

JOURNAL OF MOLECULAR GRAPHICS | 1988年 / 6卷 / 01期

关键词：

This work was partly supported by a research grant from the Natural Sciences and Engineering Research Council (NSERC) of Canada. We wish to thank the New Jersey Governor’s Commission on Science and Technology; the US Army Medical Research Division; Fort Detrick; MD; Merck; Sharp and Dohme Labs; Rahway; NJ; Schering Plough Corp; Bloomlield; Control Data Corporation and the John von Neumann SupercomputerC enter for supporting this work. We also wish to thank Tripos Associates for a grant of the Sybyl software and Chemical Design for a generous academic discount of the chemX software;

D O I：

10.1016/0263-7855(88)80061-4

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：45 / 53

页数：9

共 7 条

[1] SHAPE GROUP STUDIES OF MOLECULAR SIMILARITY: SHAPE GROUPS AND SHAPE GRAPHS OF MOLECULAR CONTOUR SURFACES
Mezey, Paul G.
JOURNAL OF MATHEMATICAL CHEMISTRY, 1988, 2 (04) : 299 - 323
[2] ON THE INHIBITION OF ALCOHOL-DEHYDROGENASE - SHAPE GROUP-ANALYSIS OF MOLECULAR ELECTROSTATIC POTENTIAL ON VANDERWAALS SURFACES FOR SOME PYRAZOLE DERIVATIVES
ROZAS, I
ARTECA, GA
MEZEY, PG
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1991, 40 : 269 - 288
[3] USING MOLECULAR ELECTROSTATIC POTENTIAL MAPS FOR SIMILARITY STUDIES
TASI, G
PALINKO, I
MOLECULAR SIMILARITY II, 1995, 174 : 45 - 71
[4] A TOPOLOGICAL ANALYSIS OF MOLECULAR ELECTROSTATIC POTENTIAL ON VANDERWAALS SURFACES FOR HISTAMINE AND 4-SUBSTITUTED DERIVATIVES AS H2-RECEPTOR AGONISTS
ARTECA, GA
HERNANDEZLAGUNA, A
RANDEZ, JJ
SMEYERS, YG
MEZEY, PG
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (06) : 705 - 716
[5] SHAPE GROUP STUDIES OF MOLECULAR SIMILARITY AND REGIOSELECTIVITY IN CHEMICAL-REACTIONS
ARTECA, GA
JAMMAL, VB
MEZEY, PG
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (06) : 608 - 619
[6] MODELING OF BETA-ADRENOCEPTORS BASED ON MOLECULAR ELECTROSTATIC POTENTIAL STUDIES OF AGONISTS AND ANTAGONISTS
ELTAYAR, N
CARRUPT, PA
VANDEWATERBEEMD, H
TESTA, B
JOURNAL OF MEDICINAL CHEMISTRY, 1988, 31 (11) : 2072 - 2081
[7] Structure-based prediction of DNA-binding sites on proteins using the empirical preference of electrostatic potential and the shape of molecular surfaces
Tsuchiya, Y
Kinoshita, K
Nakamura, H
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2004, 55 (04) : 885 - 894

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