Molecular details from computational reaction dynamics for the cellobiohydrolase i glycosylation reaction

Journal of the American Chemical Society

Volumn 133, Issue 48, 2011, Pages 19474-19482

  Barnett, Christopher B ^a   Wilkinson, Karl A ^a   Naidoo, Kevin J ^a  

^a UNIVERSITY OF CAPE TOWN   (South Africa)

Author keywords

[No Author keywords available]

Indexed keywords

ADAPTIVE REACTION; ANOMERIC CARBON; CELLOBIOHYDROLASE I; CELLOBIOHYDROLASES; CELLOBIOSE; CELLULOSE CHAIN; FRONTIER MOLECULAR ORBITALS; GLYCOSYLATED; GLYCOSYLATION REACTIONS; OXOCARBENIUM; REACTION DYNAMICS; REACTION SURFACES; TRANSITION STATE; TRANSITION STATE STRUCTURE;

CELLULOSE; DYNAMICS; ESTERIFICATION; GLUCOSE; GLYCOSYLATION; HYDROGEN BONDS; MOLECULAR ORBITALS; REACTION INTERMEDIATES;

SURFACE REACTIONS;

CELLOBIOSE HYDROLASE 1; GLYCOSIDASE; UNCLASSIFIED DRUG;

ARTICLE; COMPUTATIONAL FLUID DYNAMICS; CONFORMATIONAL TRANSITION; ENZYME STRUCTURE; GLYCOSYLATION; HYDROGEN BOND; MOLECULAR DYNAMICS;

CATALYTIC DOMAIN; CELLULOSE; CELLULOSE 1,4-BETA-CELLOBIOSIDASE; GLYCOSYLATION; KINETICS; MOLECULAR DYNAMICS SIMULATION; TRICHODERMA;

EID: 82555187189     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja206842j     Document Type: Article

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