DOCKING FLEXIBLE LIGANDS TO MACROMOLECULAR RECEPTORS BY MOLECULAR SHAPE

被引:180
作者
DESJARLAIS, RL
SHERIDAN, RP
DIXON, JS
KUNTZ, ID
VENKATARAGHAVAN, R
机构
[1] AMER CYANAMID CO,LEDERLE LABS,PEARL RIVER,NY 10965
[2] UNIV CALIF SAN FRANCISCO,DEPT PHARMACEUT CHEM,SAN FRANCISCO,CA 94143
关键词
D O I
10.1021/jm00161a004
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
引用
收藏
页码:2149 / 2153
页数:5
相关论文
共 21 条
[1]   COMPOUNDS DESIGNED TO FIT A SITE OF KNOWN STRUCTURE IN HUMAN HEMOGLOBIN [J].
BEDDELL, CR ;
GOODFORD, PJ ;
NORRINGTON, FE ;
WILKINSON, S ;
WOOTTON, R .
BRITISH JOURNAL OF PHARMACOLOGY, 1976, 57 (02) :201-209
[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]  
BLAKE CCF, 1977, NATURE, V268, P115, DOI 10.1038/268115a0
[4]   STRUCTURE OF PRE-ALBUMIN - SECONDARY, TERTIARY AND QUATERNARY INTERACTIONS DETERMINED BY FOURIER REFINEMENT AT 1.8-A [J].
BLAKE, CCF ;
GEISOW, MJ ;
OATLEY, SJ ;
RERAT, B ;
RERAT, C .
JOURNAL OF MOLECULAR BIOLOGY, 1978, 121 (03) :339-356
[5]   COMPUTER-GRAPHICS IN DRUG DESIGN - MOLECULAR MODELING OF THYROID-HORMONE PRE-ALBUMIN INTERACTIONS [J].
BLANEY, JM ;
JORGENSEN, EC ;
CONNOLLY, ML ;
FERRIN, TE ;
LANGRIDGE, R ;
OATLEY, SJ ;
BURRIDGE, JM ;
BLAKE, CCF .
JOURNAL OF MEDICINAL CHEMISTRY, 1982, 25 (07) :785-790
[6]  
BOLIN JT, 1982, J BIOL CHEM, V257, P13650
[7]  
Connolly M. L., 1981, THESIS U CALIFORNIA
[8]   ANALYTICAL MOLECULAR-SURFACE CALCULATION [J].
CONNOLLY, ML .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1983, 16 (OCT) :548-558
[9]   SOLVENT-ACCESSIBLE SURFACES OF PROTEINS AND NUCLEIC-ACIDS [J].
CONNOLLY, ML .
SCIENCE, 1983, 221 (4612) :709-713
[10]   DISTANCE GEOMETRY APPROACH TO RATIONALIZING BINDING DATA [J].
CRIPPEN, GM .
JOURNAL OF MEDICINAL CHEMISTRY, 1979, 22 (08) :988-997