A COMPUTATIONAL-PROCEDURE FOR DETERMINING ENERGETICALLY FAVORABLE BINDING-SITES ON BIOLOGICALLY IMPORTANT MACROMOLECULES

被引：2265
作者：
GOODFORD, PJ
机构：
来源：
JOURNAL OF MEDICINAL CHEMISTRY | 1985年 / 28卷 / 07期
关键词：
D O I：
10.1021/jm00145a002
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
摘要：
引用
收藏
页码：849 / 857
页数：9
相关论文
共 34 条
[1]  
[Anonymous], 1960, COURSE THEORETICAL P
[2]   X-RAY-DIFFRACTION STUDY OF BINDING OF 2,3-DIPHOSPHOGLYCERATE TO HUMAN DEOXYHEMOGLOBIN [J].
ARNONE, A .
NATURE, 1972, 237 (5351) :146-&
[3]   SUBSTITUTED BENZALDEHYDES DESIGNED TO INCREASE THE OXYGEN-AFFINITY OF HUMAN-HEMOGLOBIN AND INHIBIT THE SICKLING OF SICKLE ERYTHROCYTES [J].
BEDDELL, CR ;
GOODFORD, PJ ;
KNEEN, G ;
WHITE, RD ;
WILKINSON, S ;
WOOTTON, R .
BRITISH JOURNAL OF PHARMACOLOGY, 1984, 82 (02) :397-407
[4]   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
[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]   CHARMM - A PROGRAM FOR MACROMOLECULAR ENERGY, MINIMIZATION, AND DYNAMICS CALCULATIONS [J].
BROOKS, BR ;
BRUCCOLERI, RE ;
OLAFSON, BD ;
STATES, DJ ;
SWAMINATHAN, S ;
KARPLUS, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (02) :187-217
[8]   The classical equation of state of gaseous helium, neon and argon [J].
Buckingham, RA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1938, 168 (A933) :264-283
[9]  
CHURG AK, 1983, J PHYS CHEM-US, V87, P1683, DOI 10.1021/j100233a010
[10]   STRUCTURE OF BOVINE PANCREATIC PHOSPHOLIPASE-A2 AT 1.7A RESOLUTION [J].
DIJKSTRA, BW ;
KALK, KH ;
HOL, WGJ ;
DRENTH, J .
JOURNAL OF MOLECULAR BIOLOGY, 1981, 147 (01) :97-123
1234