Molecular dynamics study on class A β-lactamase: Hydrogen bond network among the functional groups of penicillin G and side chains of the conserved residues in the active site

Journal of Physical Chemistry B

Volumn 107, Issue 37, 2003, Pages 10274-10283

  Fujii, Yasuyuki ^a   Okimoto, Noriaki ^b   Hata, Masayuki ^a   Narumi, Tetsu ^b   Yasuoka, Kenji ^c   Susukita, Ryutaro ^b   Suenaga, Atsushi ^b   Futatsugi, Noriyuki ^b   Koishi, Takahiro ^b   Furusawa, Hideaki ^b   Kawai, Atsushi ^b   Ebisuzaki, Toshikazu ^b   Neya, Saburo ^a   Hoshino, Tyuji ^a  

^a CHIBA UNIVERSITY   (Japan)

^b INST OF PHYS AND CHEMICAL RESEARCH   (Japan)

^c KEIO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; ANTIBIOTICS; CATALYSIS; COMPUTER SIMULATION; CRYSTALLOGRAPHY; ENZYMES; FUNCTIONALLY GRADED MATERIALS; HYDROGEN BONDS; STRUCTURE (COMPOSITION);

COULOMB TERM; LACTAMASE; PENICILLIN; SUBSTRATE FREE ENZYME;

MOLECULAR DYNAMICS;

EID: 0141459200     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034536t     Document Type: Article

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