Molecular dynamics and quantum mechanical calculations on the mononuclear zinc-β-lactamase from Bacillus cereus: Protonation state of the active site and imipenem binding

Journal of Molecular Structure: THEOCHEM

Volumn 912, Issue 1-3, 2009, Pages 105-112

  Suárez, Dimas ^a   Suárez, Ernesto ^a   Díaz, Natalia ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

Density functional; Linear scaling methods; Molecular dynamics; PM3; Zinc lactamases

Indexed keywords

EID: 69949178396     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.12.048     Document Type: Article

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