Dynamical flexibility and proton transfer in the arginase active site probed by ab initio molecular dynamics

Journal of the American Chemical Society

Volumn 127, Issue 11, 2005, Pages 4010-4020

  Ivanov, Ivaylo ^a   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLATION; CATALYSIS; CHELATION; FREE ENERGY; PROTONS;

AB INITIO MOLECULAR DYNAMICS (AIMD); ACTIVE SITES; DYNAMICAL FLEXIBILITY; PROTON TRANSFERS;

MOLECULAR DYNAMICS;

ARGINASE; ASPARTIC ACID; BRIDGED COMPOUND; CARBOXYLIC ACID DERIVATIVE; LIGAND; METAL; OXYGEN;

AB INITIO CALCULATION; ARTICLE; CATALYSIS; CHELATION; CHEMICAL MODIFICATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; ENERGY; ENZYME ACTIVE SITE; ENZYME STRUCTURE; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; PROTEIN MOTIF; PROTON TRANSPORT; REACTION ANALYSIS;

ARGINASE; BINDING SITES; MODELS, CHEMICAL; MODELS, MOLECULAR; PROTEIN FOLDING; PROTONS; THERMODYNAMICS;

EID: 15744370010     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja043693i     Document Type: Article

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