CALCULATIONS OF ELECTROSTATIC ENERGIES IN PROTEINS - THE ENERGETICS OF IONIZED GROUPS IN BOVINE PANCREATIC TRYPSIN-INHIBITOR

被引：253
作者：
RUSSELL, ST
WARSHEL, A
机构：
来源：
JOURNAL OF MOLECULAR BIOLOGY | 1985年 / 185卷 / 02期
关键词：
D O I：
10.1016/0022-2836(85)90411-5
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：
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页码：389 / 404
页数：16
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共 32 条
[1]  
Allen L C, 1981, Ann N Y Acad Sci, V367, P383, DOI 10.1111/j.1749-6632.1981.tb50580.x
[2]   COMPLETE THERMODYNAMIC ANALYSIS OF ANOMALOUS ORDER OF AMINE BASICITIES IN SOLUTION [J].
ARNETT, EM ;
BEAUCHAM.JL ;
TAAGEPER.M ;
TAFT, RW ;
HOLTZ, D ;
HENDERSO.WG ;
JONES, FM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (13) :4724-&
[3]  
BOLIS G, 1978, GAZZ CHIM ITAL, V108, P425
[4]   ANALYTICAL POTENTIALS FROM ABINITIO COMPUTATIONS FOR INTERACTION BETWEEN BIOMOLECULES .1. WATER WITH AMINO-ACIDS [J].
CLEMENTI, E ;
CAVALLONE, F ;
SCORDAMAGLIA, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (17) :5531-5545
[5]   CRYSTALLOGRAPHIC REFINEMENT OF STRUCTURE OF BOVINE PANCREATIC TRYPSIN-INHIBITOR AT 1.5 A RESOLUTION [J].
DEISENHOFER, J ;
STEIGEMANN, W .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1975, 31 (JAN15) :238-250
[6]   STATISTICS OF ENTHALPY-ENTROPY RELATIONSHIP .5. ENTHALPY-ENTROPY RELATIONSHIP IN ORGANIC REACTIONS [J].
EXNER, O .
COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS, 1975, 40 (09) :2762-2780
[7]   FINITE-FIELD METHOD CALCULATIONS .4. HIGHER-ORDER MOMENTS, DIPOLE-MOMENT GRADIENTS, POLARIZABILITY GRADIENTS AND FIELD-INDUCED SHIFTS IN MOLECULAR-PROPERTIES - APPLICATION TO N2, CO, CN-, HCN AND HNC [J].
GREADY, JE ;
BACSKAY, GB ;
HUSH, NS .
CHEMICAL PHYSICS, 1978, 31 (03) :467-483
[8]   ELECTROSTATIC POTENTIALS OF PROTEINS .1. CARBOXYPEPTIDASE-A [J].
HAYES, DM ;
KOLLMAN, PA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) :3335-3345
[9]   ALPHA-HELIX DIPOLE AND PROPERTIES OF PROTEINS [J].
HOL, WGJ ;
VANDUIJNEN, PT ;
BERENDSEN, HJC .
NATURE, 1978, 273 (5662) :443-446
[10]   ESTIMATE OF INTRAPROTEIC ELECTROSTATIC FIELDS VALUES ORIGINATED BY PEPTIDE GROUPS IN ALPHA-CHYMOTRYPSIN [J].
JOHANNIN, G ;
KELLERSH.N .
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 1972, 49 (02) :321-&
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