Deprotonation of a histidine residue in aqueous solution using constrained ab initio molecular dynamics

Journal of the American Chemical Society

Volumn 124, Issue 45, 2002, Pages 13380-13381

  Ivanov, Ivaylo ^a   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACID; HISTIDINE; HYDROGEN; IMIDAZOLE; NITROGEN;

AQUEOUS SOLUTION; ARTICLE; ELECTRICITY; ENZYME ACTIVE SITE; HYDROGEN BOND; MOLECULAR DYNAMICS; PROTON TRANSPORT; SOLVATION; THERMODYNAMICS;

HISTIDINE; HYDROGEN-ION CONCENTRATION; KINETICS; PROTONS; SOLUTIONS; THERMODYNAMICS; WATER;

EID: 0037073166     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja027972m     Document Type: Article

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