How cellulose elongates-A QM/MM study of the molecular mechanism of cellulose polymerization in bacterial CESA

Journal of Physical Chemistry B

Volumn 119, Issue 22, 2015, Pages 6525-6535

  Yang, Hui ^a   Zimmer, Jochen ^b   Yingling, Yaroslava G ^c   Kubicki, James D ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b UNIVERSITY OF VIRGINIA   (United States)

^c North Carolina State University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; CELLULOSE; GLUCOSE; MOLECULES; POLYMERIZATION; POLYMERS; QUANTUM THEORY; RATE CONSTANTS;

ACTIVATION BARRIERS; BACTERIAL CELLULOSE; CATALYTIC MECHANISMS; CELLULOSE POLYMERIZATION; POLYSACCHARIDE CHAIN; TRANSITION STATE THEORIES; TRANSITION STRUCTURES; X RAY CRYSTAL STRUCTURES;

CRYSTAL STRUCTURE;

CELLULOSE; CELLULOSE SYNTHASE; GLUCOSE; GLUCOSYLTRANSFERASE; PROTON; URIDINE DIPHOSPHATE; WATER;

BIOCATALYSIS; CHEMISTRY; CONFORMATION; ENZYME ACTIVATION; ENZYMOLOGY; GLYCOSYLATION; METABOLISM; MOLECULAR DYNAMICS; POLYMERIZATION; PROTEIN CONFORMATION; QUANTUM THEORY; RHODOBACTER;

BIOCATALYSIS; CARBOHYDRATE CONFORMATION; CELLULOSE; ENZYME ACTIVATION; GLUCOSE; GLUCOSYLTRANSFERASES; GLYCOSYLATION; MOLECULAR DYNAMICS SIMULATION; POLYMERIZATION; PROTEIN CONFORMATION; PROTONS; QUANTUM THEORY; RHODOBACTER; URIDINE DIPHOSPHATE; WATER;

EID: 84930959537     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b01433     Document Type: Article

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