Comparative molecular similarity indices analysis: CoMSIA

被引：118

作者：

Klebe, G ^{[1
]}

机构：

[1] Univ Marburg, Inst Pharmaceut Chem, D-35032 Marburg, Germany

来源：

PERSPECTIVES IN DRUG DISCOVERY AND DESIGN | 1998年 / 12卷

关键词：

D O I：

10.1023/A:1017025803403

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

引用

页码：87 / 104

页数：18

共 23 条

[1]

[Anonymous], 3D QSAR DRUG DESIGN

[2] PROTEIN DATA BANK - COMPUTER-BASED ARCHIVAL FILE FOR MACROMOLECULAR STRUCTURES [J].

BERNSTEIN, FC ;

KOETZLE, TF ;

WILLIAMS, GJB ;

MEYER, EF ;

BRICE, MD ;

RODGERS, JR ;

KENNARD, O ;

SHIMANOUCHI, T ;

TASUMI, M .

JOURNAL OF MOLECULAR BIOLOGY, 1977, 112 (03) :535-542

[3]

Bohm N.J., 1996, ANGEW CHEM INT EDIT, V35, P2588

[4] COMPARATIVE MOLECULAR-FIELD ANALYSIS (COMFA) .1. EFFECT OF SHAPE ON BINDING OF STEROIDS TO CARRIER PROTEINS [J].

CRAMER, RD ;

PATTERSON, DE ;

BUNCE, JD .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (18) :5959-5967

[5] 3D-QSAR OF ANGIOTENSIN-CONVERTING ENZYME AND THERMOLYSIN INHIBITORS - A COMPARISON OF COMFA MODELS BASED ON DEDUCED AND EXPERIMENTALLY DETERMINED ACTIVE-SITE GEOMETRIES [J].

DEPRIEST, SA ;

MAYER, D ;

NAYLOR, CB ;

MARSHALL, GR .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (13) :5372-5384

[6]

Folkers G, 1993, 3D QSAR DRUG DESIGN, P583

[7] STRUCTURE-ACTIVITY-RELATIONSHIPS FROM MOLECULAR SIMILARITY-MATRICES [J].

GOOD, AC ;

SO, SS ;

RICHARDS, WG .

JOURNAL OF MEDICINAL CHEMISTRY, 1993, 36 (04) :433-438

[8] A COMPUTATIONAL-PROCEDURE FOR DETERMINING ENERGETICALLY FAVORABLE BINDING-SITES ON BIOLOGICALLY IMPORTANT MACROMOLECULES [J].

GOODFORD, PJ .

JOURNAL OF MEDICINAL CHEMISTRY, 1985, 28 (07) :849-857

[9]

Kearsley S.K., 1990, Tetrahedron Comput. Methodol, V3, P615, DOI DOI 10.1016/0898-5529(90)90162-2

[10]

Kellogg G. E., 1992, Med Chem Res, V1, P444

← 1 2 3 →