QM/MM study of the catalytic mechanism of GalNAc removal from GM2 ganglioside catalyzed by human β-hexosaminidaseA

Journal of Physical Chemistry B

Volumn 115, Issue 49, 2011, Pages 14751-14759

  Passos, Óscar ^a   Fernandes, Pedro Alexandrino ^a   Ramos, Maria João ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

AMBER; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

ATOMIC LEVELS; CATALYTIC MECHANISMS; CONFORMATIONAL TRANSITIONS; ELECTRONIC ENERGIES; EXPERIMENTAL VALUES; GLYCOSIDASES; HEXOSAMINIDASE; IN-LINE; N-ACETYLGLUCOSAMINE; RATE-LIMITING STEPS; REACTION MECHANISM;

SUBSTRATES;

EID: 83455201696     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp205826n     Document Type: Article

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