Ewa I. Chudyk

Vertex Pharmaceuticals (United Kingdom) — United Kingdom

Biochemistry, Genetics and Molecular Biology · Life Sciences

12h-index518citations23works3.02yr avg
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Research Topics

Antibiotic Resistance in Bacteria(8), Antibiotics Pharmacokinetics and Efficacy(7), Receptor Mechanisms and Signaling(7), Antibiotic Use and Resistance(6), Protein Structure and Dynamics(5)

Publications23 total

Challenges of Absolute Binding Free Energies for Membrane Exposed Binding Pockets
2024· 3 citedOpen Access
Absolute binding free energy calculations for molecules binding to the GPCR GCGR at the protein/bilayer/water interface
Biophysical Journal·2023Open Access
QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-Lactamases
ACS Infectious Diseases·2022· 21 citedOpen Access
QM/MM Simulations Reveal the Determinants of Carbapenemase Activity in Class A β-lactamases
2022· 1 citedOpen Access
Absolute binding free energy calculations for small molecules binding at the membrane protein-lipid bilayer interface
Biophysical Journal·2022
An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases
Journal of Chemical Information and Modeling·2019· 22 citedOpen Access
An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases
2019Open Access
An Efficient Computational Assay for β-Lactam Antibiotic Breakdown by Class A β-Lactamases
2019Open Access
Ligand- and Structure-Based Drug Design and Optimization using KNIME
Current Medicinal Chemistry·2019· 17 cited
Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method
Methods in molecular biology·2017· 18 cited
Using the fragment molecular orbital method to investigate agonist–orexin-2 receptor interactions
Biochemical Society Transactions·2016· 34 citedOpen Access
Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors
Journal of Medicinal Chemistry·2016· 79 cited
The Fragment Molecular Orbital Method Reveals New Insight into the Chemical Nature of GPCR–Ligand Interactions
Journal of Chemical Information and Modeling·2015· 108 cited
Modeling of ribonucleic acid–ligand interactions
Wiley Interdisciplinary Reviews Computational Molecular Science·2015· 17 citedOpen Access
Applications of the Fragment Molecular Orbital Method to Drug Research
Methods in pharmacology and toxicology·2015· 3 cited
QM/MM simulations as an assay for carbapenemase activity in class A β-lactamases
Chemical Communications·2014· 48 citedOpen Access
Nonempirical Energetic Analysis of Reactivity and Covalent Inhibition of Fatty Acid Amide Hydrolase
The Journal of Physical Chemistry B·2013· 12 cited
Differential Transition State Stabilization - Nonempirical Analysis
2012· 1 cited
Empirical Valence Bond Methods
2012
Beta-Lactamases: Computational Studies
2012
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Frequent Co-authors

Adrian J. Mulholland(10), Marc W. van der Kamp(6), Michael A. L. Limb(6), Philip C. Biggin(5), James Spencer(5), Alexander Heifetz(4), Matteo Aldeghi(4), Dmitri G. Fedorov(4), Mike J. Bodkin(4), Charlotte Jones(3), Alessio Lodola(3), Jitnapa Sirirak(3), Marco Mor(3), Viivi H. A. Hirvonen(3), Katharine Hammond(3), Charlie Cook(3), Luigi Capoferri(2), Edyta Dyguda‐Kazimierowicz(2), W. Andrzej Sokalski(2), Michael Beer(2)