WATER-STRUCTURE IN THE ACTIVE CLEFT OF HUMAN CARBONIC ANHYDRASE-B - MONTE-CARLO SIMULATION

被引:42
作者
CLEMENTI, E
CORONGIU, G
JONSSON, B
ROMANO, S
机构
[1] Istituto Ricerche 'G. Donegani', 28100 Novara
关键词
D O I
10.1016/0014-5793(79)80359-2
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
收藏
页码:313 / 317
页数:5
相关论文
共 21 条
[1]  
BERTINI I, 1978, J AM CHEM SOC, V100, P4837
[2]   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
[3]  
CLEMENTI E, 1977, J AM CHEM SOC, V99, P5550
[4]  
CLEMENTI E, UNPUBLISHED
[5]  
CLEMENTI E, 1978, DDC802 MONT TECH REP
[6]  
COLEMAN JE, 1967, J BIOL CHEM, V242, P5212
[7]   THEORETICAL-STUDY OF BINDING AND PROTON-LABILIZING PROPERTIES OF ZN2+ [J].
DEMOULIN, D ;
PULLMAN, A ;
SARKAR, B .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (26) :8498-8500
[8]   ABINITIO THEORETICAL-STUDY OF BINDING OF ZNII WITH BIOLOGICALLY SIGNIFICANT LIGANDS - CO2, H2O, OH-, IMIDAZOLE, AND IMIDAZOLATE [J].
DEMOULIN, D ;
PULLMAN, A .
THEORETICA CHIMICA ACTA, 1978, 49 (02) :161-181
[9]  
FANTUCCI P, 1978, DCC803 MONT TECH REP
[10]   ABINITIO MOLECULAR-ORBITAL CALCULATIONS ON WATER CARBON DIOXIDE SYSTEM - REACTION PATHWAY FOR H2O+CO2-]H2CO3 [J].
JONSSON, B ;
KARLSTROM, G ;
WENNERSTROM, H ;
FORSEN, S ;
ROOS, B ;
ALMLOF, J .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (14) :4628-4632