MD and QM/MM studies on long-chain l -α-hydroxy acid oxidase: Substrate binding features and oxidation mechanism

Journal of Physical Chemistry B

Volumn 118, Issue 20, 2014, Pages 5406-5417

  Cao, Yang ^a   Han, Shuang ^a   Yu, Lushan ^a   Qian, Haiyan ^a   Chen, Jian Zhong ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CATALYSIS; CHAINS; DEHYDROGENATION; HYDRIDES; IONS; MOLECULAR DYNAMICS; MOLECULAR MODELING; QUANTUM CHEMISTRY;

DIFFERENT MECHANISMS; FLAVIN MONO NUCLEOTIDES (FMN); MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANISM; OPTIMIZED STRUCTURES; OXIDATION MECHANISMS; QUANTUM CHEMICAL STUDIES; QUANTUM MECHANICS/MOLECULAR MECHANICS;

CARBOXYLIC ACIDS;

ALCOHOL DEHYDROGENASE; ENZYME; L-2-HYDROXYACID OXIDASE; LACTIC ACID; PROTEIN BINDING;

BINDING SITE; CHEMISTRY; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; HYDROGEN BOND; KINETICS; METABOLISM; MOLECULAR DYNAMICS; OXIDATION REDUCTION REACTION; QUANTUM THEORY; THERMODYNAMICS;

ALCOHOL OXIDOREDUCTASES; BINDING SITES; CATALYTIC DOMAIN; ENZYMES; HYDROGEN BONDING; KINETICS; LACTIC ACID; MOLECULAR DYNAMICS SIMULATION; OXIDATION-REDUCTION; PROTEIN BINDING; QUANTUM THEORY; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 84901336098     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5022399     Document Type: Article

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