Suchergebnisse - "Mulholland, Adrian J"

PubPharm (9)

1

Quantum Mechanics/Molecular Mechanics Simulations Identify the Ring-Opening Mechanism of Creatininase

enthalten in: Biochemistry | 2017

von Jitonnom, J. | Mujika, J. | van der Kamp, M. | +1

2

Nonempirical energetic analysis of reactivity and covalent inhibition of fatty acid amide hydrolase

enthalten in: The journal of physical chemistry. B | 2013

von Chudyk, E. | Dyguda-Kazimierowicz, E. | Langner, K. | +5

3

Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology

enthalten in: Biochemistry | 2013

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

4

Application of a SCC-DFTB QM/MM approach to the investigation of the catalytic mechanism of fatty acid amide hydrolase

enthalten in: Journal of molecular modeling | 2011

von Capoferri, L. | Mor, M. | Sirirak, J. | +3

5

Understanding the role of carbamate reactivity in fatty acid amide hydrolase inhibition by QM/MM mechanistic modelling

enthalten in: Chemical communications (Cambridge, England) | 2011

von Lodola, A. | Capoferri, L. | Rivara, S. | +9

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

Identification of productive inhibitor binding orientation in fatty acid amide hydrolase (FAAH) by QM/MM mechanistic modelling

enthalten in: Chemical communications (Cambridge, England) | 2008

von Lodola, A. | Mor, M. | Rivara, S. | +4

8

Conformational effects in enzyme catalysis : reaction via a high energy conformation in fatty acid amide hydrolase

enthalten in: Biophysical journal | 2007

von Lodola, A. | Mor, M. | Zurek, J. | +4

9

QM/MM modelling of oleamide hydrolysis in fatty acid amide hydrolase (FAAH) reveals a new mechanism of nucleophile activation

enthalten in: Chemical communications (Cambridge, England) | 2005

von Lodola, A. | Mor, M. | Hermann, J. | +3

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