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Jolanta Zurek

Research Profile

Concepts & Ideas

Occupations

Chemicals & Drugs

Living Beings

Pseudomonas putida

Phenomena

Physiology

Energy Transfer

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Publications

TOP 3
Marc Van der Kamp; Jolanta Zurek; Frederick R Manby; Jeremy N Harvey; Adrian J Mulholland
Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase.
Alessio Lodola; sha mor; Jolanta Zurek; Giorgio Tarzia; Daniele Piomelli; Jeremy N Harvey; Adrian J Mulholland
Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase.
Jeremy N Harvey; Jolanta Zurek; Ulla Pentikäinen; Adrian J Mulholland
Comment on "Molecular dynamics DFT:B3LYP study of guanosinetriphosphate conversion into guanosinemonophosphate upon Mg2+ chelation of alpha and beta phosphate oxygens of the triphosphate tail" by Alexander A. Tulub, Phys. Chem. Chem. Phys., 2006, 8, 2187.

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All Publications

2010: Marc Van der Kamp; Jolanta Zurek; Frederick R Manby; Jeremy N Harvey; Adrian J Mulholland
Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase.
The journal of physical chemistry. B 2010;114(34):11303-14.
2007: Alessio Lodola; sha mor; Jolanta Zurek; Giorgio Tarzia; Daniele Piomelli; Jeremy N Harvey; Adrian J Mulholland
Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase.
Biophysical journal 2007;92(2):L20-2.
2006: Jeremy N Harvey; Jolanta Zurek; Ulla Pentikäinen; Adrian J Mulholland
Comment on "Molecular dynamics DFT:B3LYP study of guanosinetriphosphate conversion into guanosinemonophosphate upon Mg2+ chelation of alpha and beta phosphate oxygens of the triphosphate tail" by Alexander A. Tulub, Phys. Chem. Chem. Phys., 2006, 8, 2187.
Physical chemistry chemical physics : PCCP 2006;8(45):5366-7; discussion 5368-9.
2006: Jolanta Zurek; Nicolas Foloppe; Jeremy N Harvey; Adrian J Mulholland
Mechanisms of reaction in cytochrome P450: Hydroxylation of camphor in P450cam.
Organic & biomolecular chemistry 2006;4(21):3931-7.
2005: Christine M Bathelt; Jolanta Zurek; Adrian J Mulholland; Jeremy N Harvey
Electronic structure of compound I in human isoforms of cytochrome P450 from QM/MM modeling.
Journal of the American Chemical Society 2005;127(37):12900-8.

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