Exploring reaction pathways for O -GlcNAc transferase catalysis. A string method study

Journal of Physical Chemistry B

Volumn 119, Issue 12, 2015, Pages 4371-4381

  Kumari, Manju ^a   Kozmon, Stanislav ^a   Kulhánek, Petr ^a   Štepán, Jakub ^a   Tvaroška, Igor ^a,b   Koča, Jaroslav ^a  

^a MASARYK UNIVERSITY   (Czech Republic)

^b INSTITUTE OF CHEMISTRY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; FREE ENERGY; MOLECULAR DYNAMICS; MOLECULAR MODELING; MOLECULES; QUANTUM THEORY;

CAR-PARRINELLO MOLECULAR-DYNAMICS; GLYCOSYL TRANSFERASE; MITOCHONDRIAL PROTEIN; N-ACETYLGLUCOSAMINE; QUANTUM MECHANICS/MOLECULAR MECHANICS; RATIONAL DRUG DESIGNS; REACTION PATHWAYS; TRANSITION-STATE ANALOGUES;

REACTION KINETICS;

N ACETYLGLUCOSAMINYLTRANSFERASE; O-GLCNAC TRANSFERASE; PROTON; WATER;

CATALYSIS; CHEMISTRY; HUMAN; MOLECULAR DYNAMICS; QUANTUM THEORY;

CATALYSIS; HUMANS; MOLECULAR DYNAMICS SIMULATION; N-ACETYLGLUCOSAMINYLTRANSFERASES; PROTONS; QUANTUM THEORY; WATER;

EID: 84925945606     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp511235f     Document Type: Article

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