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- 2004
-
Mark
Binding of benzylpenicillin to metallo-beta-lactamase: A QM/MM study
Olsen, L ; Rasmussen, Torben LU ; Hemmingsen, L and Ryde, Ulf LU
(2004)
In The Journal of Physical Chemistry Part B
108(45).
p.17639-17648
- Contribution to journal › Article
- 2003
-
Mark
Lactam hydrolysis catalyzed by mononuclear metallo-beta-lactamases: A density functional study
Olsen, L ; Antony, J ; Ryde, Ulf LU
; Adolph, H-W
and Hemmingsen, L
(2003)
In The Journal of Physical Chemistry Part B
107(10).
p.2366-2375
- Contribution to journal › Article
- 2002
-
Mark
Electric field gradients of water: A systematic investigation of basis set, electron correlation, and rovibrational effects
- Contribution to journal › Article