Insights into the unprecedented epoxidation mechanism of fumitremorgin B endoperoxidase (FtmOx1) from Aspergillus fumigatus by QM/MM calculations

Physical Chemistry Chemical Physics

Volumn 19, Issue 11, 2017, Pages 7668-7677

  Wang, Xiya ^a   Su, Hao ^a   Liu, Yongjun ^a  

^a SHANDONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EPOXIDE; FUMITREMORGIN B; FUNGAL PROTEIN; HYDROGEN; INDOLE DERIVATIVE; PROTEINASE; VERRUCULOGEN;

ASPERGILLUS FUMIGATUS; BINDING SITE; CHEMISTRY; ENZYMOLOGY; METABOLISM; MOLECULAR DYNAMICS; PROTEIN TERTIARY STRUCTURE; QUANTUM THEORY; THERMODYNAMICS;

ASPERGILLUS FUMIGATUS; BINDING SITES; ENDOPEPTIDASES; EPOXY COMPOUNDS; FUNGAL PROTEINS; HYDROGEN; INDOLES; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, TERTIARY; QUANTUM THEORY; THERMODYNAMICS;

EID: 85015982924     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c7cp00313g     Document Type: Article

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