Suchergebnisse - "Mulholland, Adrian J"

PubPharm (83)

1

High level QM/MM modeling of the formation of the tetrahedral intermediate in the acylation of wild type and K73A mutant TEM-1 class A beta-lactamase

enthalten in: The journal of physical chemistry. A | 2009

von Hermann, J. | Pradon, J. | Harvey, J. | +1

2

Modeling protein splicing : reaction pathway for C-terminal splice and intein scission

enthalten in: The journal of physical chemistry. B | 2009

von Mujika, J. | Lopez, X. | Mulholland, A.

3

Insights into the mechanism and inhibition of fatty acid amide hydrolase from quantum mechanics/molecular mechanics (QM/MM) modelling

enthalten in: Biochemical Society transactions | 2009

von Lodola, A. | Mor, M. | Sirirak, J. | +1

4

Lennard-Jones Parameters for B3LYP/CHARMM27 QM/MM Modeling of Nucleic Acid Bases

enthalten in: Journal of chemical theory and computation | 2009

von Pentikäinen, U. | Shaw, K. | Senthilkumar, K. | +2

5

Lennard−Jones Parameters for B3LYP-CHARMM27 QM-MM Modeling of Nucleic Acid Bases

enthalten in: Journal of chemical theory and computation | 2009

von Pentikaïnen, U. | Shaw, K. | Senthilkumar, K. | +2

6

Insights into the mechanism and inhibition of fatty acid amide hydrolase from quantum mechanics-molecular mechanics (QM-MM) modelling

enthalten in: Biochemical Society transactions | 2009

von Lodola, A. | Mor, M. | Sirirak, J. | +1

7

ChemInform Abstract: Computational Enzymology: Insight into Biological Catalyst from Modelling

enthalten in: ChemInform | 2009

von van der Kamp, M. | Mulholland, A.

8

QM/MM modeling of benzene hydroxylation in human cytochrome P450 2C9

enthalten in: The journal of physical chemistry. A | 2008

von Bathelt, C. | Mulholland, A. | Harvey, J.

9

Computational enzymology : insight into biological catalysts from modelling

enthalten in: Natural product reports | 2008

von van der Kamp, M. | Mulholland, A.

10

Biomolecular simulation and modelling : status, progress and prospects

enthalten in: Journal of the Royal Society, Interface | 2008

von van der Kamp, M. | Shaw, K. | Woods, C. | +1

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