The influence of protein dynamics on the success of computational enzyme design

Journal of the American Chemical Society

Volumn 131, Issue 39, 2009, Pages 14111-14115

  Ruscio, Jory Z ^a   Kohn, Jonathan E ^a   Ball, K Aurelia ^b   Head Gordon, Teresa ^a,b  

^a University of California at Berkeley   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; ALDOL REACTIONS; AQUEOUS ENVIRONMENT; ASPARTATES; COVALENTLY BOUND; DYNAMICAL FLUCTUATIONS; ENZYME REACTION; GEOMETRIC FACTORS; MOLECULAR DYNAMICS SIMULATIONS; MULTI-STEP; PHYSIOLOGICAL CONDITION; PROTEIN DYNAMICS; PROTON ABSTRACTION; TIM BARRELS;

DYNAMICS; MOLECULAR DYNAMICS; REACTION KINETICS;

ENZYMES;

ASPARTIC ACID; HISTIDINE; NUCLEOPHILE; PROTON;

ARTICLE; CHEMICAL MODEL; ENZYME STRUCTURE; ENZYME SUBSTRATE COMPLEX; GEOMETRY; KINETICS; MOLECULAR DYNAMICS;

CATALYSIS; ENZYMES; KINETICS; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; PROTEIN ENGINEERING; PROTONS; SUBSTRATE SPECIFICITY;

EID: 70349632843     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja905396s     Document Type: Article

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