Empirical valence bond simulations of the chemical mechanism of ATP to cAMP conversion by anthrax edema factor

Biochemistry

Volumn 52, Issue 15, 2013, Pages 2672-2682

  Mones, Letif ^a   Tang, Wei Jen ^b   Florián, Jan ^a  

^a LOYOLA UNIVERSITY CHICAGO   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CRYSTAL STRUCTURE; DISEASES; FREE ENERGY; MOLECULAR MODELING; NUCLEOPHILES; QUANTUM THEORY; RATE CONSTANTS; SOLUTIONS;

CATALYTIC METALS; CHEMICAL MECHANISM; ENZYME-SUBSTRATE COMPLEXES; NUCLEOPHILIC ATTACK; QUANTUM MECHANICAL/MOLECULAR MECHANICAL APPROACHES; RATE-LIMITING STEPS; REACTION MECHANISM; REACTION PATHWAYS;

REACTION INTERMEDIATES;

ADENOSINE TRIPHOSPHATE; ADENYLATE CYCLASE; ANTHRAX EDEMA FACTOR; CYCLIC AMP; NUCLEOPHILE; PYROPHOSPHATE; UNCLASSIFIED DRUG;

AQUEOUS SOLUTION; ARTICLE; CATALYST; CHEMICAL BOND; CHEMICAL REACTION; COVALENT BOND; CRYSTAL STRUCTURE; EMPIRICAL VALENCE BOND; ENERGY TRANSFER; ENZYME SUBSTRATE COMPLEX; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NUCLEOPHILICITY; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM MECHANICS; REACTION ANALYSIS;

EID: 84876221333     PISSN: 00062960     EISSN: 15204995     Source Type: Journal    
DOI: 10.1021/bi400088y     Document Type: Article

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