Computational tools for structure-based ligand design

被引：32

作者：

Bohm, HJ

机构：

[1] F. Hoffmann-La Roche Ltd., Pharmaceuticals Division, Compl. and Structural Chemistry

来源：

PROGRESS IN BIOPHYSICS & MOLECULAR BIOLOGY | 1996年 / 66卷 / 03期

关键词：

D O I：

10.1016/S0079-6107(97)00005-9

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

[No abstract available]

引用

页码：197 / 210

页数：14

共 107 条

[1] Computational methods to predict binding free energy in ligand-receptor complexes [J].

Ajay ;

Murcko, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1995, 38 (26) :4953-4967

[2] THE DEVELOPMENT OF VERSION-3 AND VERSION-4 OF THE CAMBRIDGE STRUCTURAL DATABASE SYSTEM [J].

ALLEN, FH ;

DAVIES, JE ;

GALLOY, JJ ;

JOHNSON, O ;

KENNARD, O ;

MACRAE, CF ;

MITCHELL, EM ;

MITCHELL, GF ;

SMITH, JM ;

WATSON, DG .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1991, 31 (02) :187-204

[3]

[Anonymous], ANGEW CHEM INT EDIT, DOI DOI 10.1002/ANIE.199622881

[4]

[Anonymous], CURR OPIN STRUCT BIO

[5] DESIGN, SYNTHESIS AND X-RAY CRYSTALLOGRAPHIC STUDIES OF NOVEL FKBP-12 LIGANDS [J].

BABINE, RE ;

BLECKMAN, TM ;

KISSINGER, CR ;

SHOWALTER, R ;

PELLETIER, LA ;

LEWIS, C ;

TUCKER, K ;

MOOMAW, E ;

PARGE, HE ;

VILLAFRANCA, JE .

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 1995, 5 (15) :1719-1724

[6] THIENOTHIOPYRAN-2-SULFONAMIDES - NOVEL TOPICALLY ACTIVE CARBONIC-ANHYDRASE INHIBITORS FOR THE TREATMENT OF GLAUCOMA [J].

BALDWIN, JJ ;

PONTICELLO, GS ;

ANDERSON, PS ;

CHRISTY, ME ;

MURCKO, MA ;

RANDALL, WC ;

SCHWAM, H ;

SUGRUE, MF ;

SPRINGER, JP ;

GAUTHERON, P ;

GROVE, J ;

MALLORGA, P ;

VIADER, MP ;

MCKEEVER, BM ;

NAVIA, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1989, 32 (12) :2510-2513

[7]

BANNER D, 1993, PERSPECTIVES MED CHE, P27

[8] 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

[9]

Blaney Jeffrey M., 1993, Perspectives in Drug Discovery and Design, V1, P301, DOI 10.1007/BF02174531

[10]

BOBBYER DNA, 1989, J MED CHEM, V32, P1083

← 1 2 3 4 5 6 7 8 9 10 →