György G. Ferenczy

Semmelweis University — Hungary

Computer Science · Physical Sciences

31h-index4.0kcitations131works3.32yr avg
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Research Topics

Computational Drug Discovery Methods(30), Advanced Chemical Physics Studies(25), Spectroscopy and Quantum Chemical Studies(17), Protein Structure and Dynamics(16), Chemical Synthesis and Analysis(15)

Publications131 total

Covalent ligand efficiency
Drug Discovery Today·2025Open Access
Size-Dependent Target Engagement of Covalent Probes
Journal of Medicinal Chemistry·2025· 4 citedOpen Access
From electron pairs to biomolecules
Advances in quantum chemistry·2025
BPS2025 - Unfolding force map of the entire I-band titin
Biophysical Journal·2025
Effect of Water Networks On Ligand Binding: Computational Predictions vs Experiments
Journal of Chemical Information and Modeling·2024· 10 citedOpen Access
Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential
Journal of Chemical Information and Modeling·2024· 11 citedOpen Access
Mica Lattice Orientation of Epitaxially Grown Amyloid β25–35 Fibrils
International Journal of Molecular Sciences·2024· 2 citedOpen Access
Contribution of Noncovalent Recognition and Reactivity to the Optimization of Covalent Inhibitors: A Case Study on KRas<sup>G12C</sup>
ACS Chemical Biology·2024· 3 citedOpen Access
Review for "De Novo Design of HIV‐1 Integrase‐LEDGF/p75 Inhibitors Through Deep Reinforcement Learning and Virtual Screening"
2024
Boronic acid inhibitors of penicillin-binding protein 1b: serine and lysine labelling agents
Journal of Enzyme Inhibition and Medicinal Chemistry·2024· 4 citedOpen Access
Free Energy Calculations in Covalent Drug Design
2024· 2 citedOpen Access
Molecular Mechanism of Labelling Functional Cysteines by Heterocyclic Thiones
ChemPhysChem·2023· 1 citedOpen Access
Next-Generation Heterocyclic Electrophiles as Small-Molecule Covalent MurA Inhibitors
Pharmaceuticals·2022· 7 citedOpen Access
The Structure-Derived Mechanism of Box H/ACA Pseudouridine Synthase Offers a Plausible Paradigm for Programmable RNA Editing
ACS Catalysis·2022· 11 citedOpen Access
A kovalens enziminhibíció számításos kémiai jellemzése
Magyar kémiai folyóirat, Kémiai közlemények·2022Open Access
Contribution of hydrophobic interactions to protein mechanical stability
Computational and Structural Biotechnology Journal·2022· 112 citedOpen Access
Fragment-Sized and Bidentate (Immuno)Proteasome Inhibitors Derived from Cysteine and Threonine Targeting Warheads
Cells·2021· 8 citedOpen Access
The role of quantum chemistry in covalent inhibitor design
International Journal of Quantum Chemistry·2021· 43 citedOpen Access
Discovery of selective fragment-sized immunoproteasome inhibitors
European Journal of Medicinal Chemistry·2021· 14 citedOpen Access
WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors
Journal of Computer-Aided Molecular Design·2021· 29 citedOpen Access
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Frequent Co-authors

György M. Keserű(20), Christopher A. Reynolds(8), Peter J. Winn(5), Gábor Náray‐Szabó(4), Andrea Scarpino(4), János G. Ángyán(4), Miklós Kellermayer(3), Levente M. Mihalovits(3), Jean‐Louis Rivail(2), W. Graham Richards(2), Johan Ulander(2), Péter Ábrányi‐Balogh(2), László Petri(2), Tı́mea Imre(2), Stanislav Gobec(2), Zoltán Orgován(2), Dávid Bajusz(2), Stuart R. Gooding(2), Pasquale Bianco(2), Gábor I. Csonka(2)