Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes

Journal of Physical Chemistry B

Volumn 114, Issue 21, 2010, Pages 7371-7382

  Formoso, Elena ^a   Matxain, Jon M ^a   Lopez, Xabier ^a   York, Darrin M ^b  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSTS; CONFORMATIONS; ENZYMES; HYDROLYSIS; MOLECULAR DYNAMICS; OXYGEN; REACTION KINETICS; SOLVATION;

ACID CATALYST; ACTIVE SITE STRUCTURE; ATOMIC LEVELS; BACKBONE STRUCTURES; BOVINE PANCREATIC RIBONUCLEASE; CLEAVAGE REACTION; CONFORMATIONAL DYNAMICS; DINUCLEOTIDES; HYDROGEN BOND PATTERNS; MECHANISTIC INTERPRETATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANICALS; NEGATIVE CHARGE; REACTION COORDINATES; STRUCTURE AND DYNAMICS; TRANSITION STATE; TRANSITION-STATE ANALOGUES;

DYNAMICS;

EID: 77952908782     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp909004y     Document Type: Article

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