ELECTROSTATICS IN BIOMOLECULAR STRUCTURE AND DYNAMICS

被引：620
作者：
DAVIS, ME
MCCAMMON, JA
机构：
[1] Department of Chemistry, University of Houston, Houston
来源：
CHEMICAL REVIEWS | 1990年 / 90卷 / 03期
关键词：
D O I：
10.1021/cr00101a005
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
[No abstract available]
引用
收藏
页码：509 / 521
页数：13
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[51]   CALCULATION OF THE TOTAL ELECTROSTATIC ENERGY OF A MACROMOLECULAR SYSTEM - SOLVATION ENERGIES, BINDING-ENERGIES, AND CONFORMATIONAL-ANALYSIS [J].
GILSON, MK ;
HONIG, B .
PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1988, 4 (01) :7-18
[52]   ON THE CALCULATION OF ELECTROSTATIC INTERACTIONS IN PROTEINS [J].
GILSON, MK ;
RASHIN, A ;
FINE, R ;
HONIG, B .
JOURNAL OF MOLECULAR BIOLOGY, 1985, 184 (03) :503-516
[53]   ENERGETICS OF CHARGE CHARGE INTERACTIONS IN PROTEINS [J].
GILSON, MK ;
HONIG, BH .
PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1988, 3 (01) :32-52
[54]   DESTABILIZATION OF AN ALPHA-HELIX-BUNDLE PROTEIN BY HELIX DIPOLES [J].
GILSON, MK ;
HONIG, B .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1989, 86 (05) :1524-1528
[55]   CALCULATING THE ELECTROSTATIC POTENTIAL OF MOLECULES IN SOLUTION - METHOD AND ERROR ASSESSMENT [J].
GILSON, MK ;
SHARP, KA ;
HONIG, BH .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (04) :327-335
[56]   STUDY OF THE MOLECULAR ELECTROSTATIC POTENTIALS OF ZEOLITES - THE ACIDITY IN OFFRETITE [J].
GOURSOT, A ;
FAJULA, F ;
DAUL, C ;
WEBER, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (15) :4456-4461
[57]   ELECTROSTATIC INTERACTIONS IN MOLECULAR MECHANICS (MM2) CALCULATIONS VIA PEOE PARTIAL CHARGES .1. HALOALKANES [J].
HAMMARSTROM, LG ;
LILJEFORS, T ;
GASTEIGER, J .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1988, 9 (04) :424-440
[58]   TREATMENT OF ELECTROSTATIC EFFECTS IN MACROMOLECULAR MODELING [J].
HARVEY, SC .
PROTEINS-STRUCTURE FUNCTION AND GENETICS, 1989, 5 (01) :78-92
[59]   EVALUATION OF SIMPLE-MODEL DESCRIPTIONS OF THE DIFFUSIONAL ASSOCIATION RATE FOR ENZYME LIGAND SYSTEMS [J].
HEADGORDON, T ;
BROOKS, CL .
JOURNAL OF PHYSICAL CHEMISTRY, 1989, 93 (01) :490-494
[60]   THE ROLE OF ELECTROSTATICS IN THE BINDING OF SMALL LIGANDS TO ENZYMES [J].
HEADGORDON, T ;
BROOKS, CL .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (12) :3342-3349
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