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B. Dudas · SciRah

Researcher profile · Semantic Scholar

B. Dudas

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B. Dudas — researcher profile on SciRah

h-index: 9
Works: 22
Citations: 173

Most-cited papers

Computational and artificial intelligence-based approaches for drug metabolism and transport prediction.
B. Dudas, M. Miteva
2023TIPS - Trends in Pharmacological Sciences32 citations Open access
Semantic Scholar
Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods
B. Kaynak, James M. Krieger, B. Dudas, Zakaria L. Dahmani +6 more
2022Frontiers in Molecular Biosciences28 citations Open access
Semantic Scholar
Insights into the substrate binding mechanism of SULT1A1 through molecular dynamics with excited normal modes simulations
B. Dudas, Dániel J. Tóth, D. Perahia, A. Nicot +2 more
2021Scientific Reports19 citations Open access
Semantic Scholar
ATP-Binding Cassette and Solute Carrier Transporters: Understanding Their Mechanisms and Drug Modulation Through Structural and Modeling Approaches
Ahmad Elbahnsi, B. Dudas, Isabelle Callebaut, A. Hinzpeter +1 more
2024Pharmaceuticals14 citations Open access
Semantic Scholar
Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations
A. Elbahnsi, B. Dudas, Salvatore Cisternino, X. Declèves +1 more
2024Computational and Structural Biotechnology Journal14 citations Open access
Semantic Scholar
Quantifying Cooperativity through Binding Free Energies in Molecular Glue Degraders
B. Dudas, C. Athanasiou, J. Mobarec, E. Rosta
2025Journal of Chemical Theory and Computation12 citations Open access
Semantic Scholar
Nucleotide-Specific Autoinhibition of Full-Length K-Ras4B Identified by Extensive Conformational Sampling
B. Dudas, F. Merzel, H. Jang, R. Nussinov +2 more
2020Frontiers in Molecular Biosciences11 citations Open access
Semantic Scholar
ABCG2/BCRP transport mechanism revealed through kinetically excited targeted molecular dynamics simulations
B. Dudas, X. Declèves, S. Cisternino, D. Perahia +1 more
2022Computational and Structural Biotechnology Journal10 citations Open access
Semantic Scholar
Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor
Pedro J. Buigues, Sascha Gehrke, M. Badaoui, B. Dudas +4 more
2023bioRxiv9 citations Open access
Semantic Scholar
Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition
B. Dudas, Youcef Bagdad, Milan Picard, D. Perahia +1 more
2022iScience9 citations Open access
Semantic Scholar
Small GTPase Ran: Depicting the nucleotide-specific conformational landscape of the functionally important C-terminus
Janka Czigleczki, Pedro Tulio de Resende Lara, B. Dudas, H. Jang +3 more
2023Frontiers in Molecular Biosciences6 citations Open access
Semantic Scholar
Revealing the activation mechanism of autoinhibited RalF by integrated simulation and experimental approaches
B. Dudas, D. Perahia, E. Balog
2021Scientific Reports5 citations Open access
Semantic Scholar
Nature Counts to Three: Universal Mg-Pinch Motif Polarizes the Cleaved Bond in NTP-Processing Enzymes
B. Dudas, D. Berta, P. Jambrina, Pedro J. Buigues +6 more
2026Journal of the American Chemical Society2 citations Open access
Semantic Scholar
Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations
Daniel Toth, B. Dudas, Arnaud B. Nicot, M. Miteva +1 more
2025Journal of Chemical Information and Modeling2 citations Open access
Semantic Scholar
Adaptive collective motions: a hybrid method to improve conformational sampling with molecular dynamics and normal modes
P. T. Resende-Lara, Maurício G. S. Costa, B. Dudas, D. Perahia
2022bioRxiv2 citations Open access
Semantic Scholar
Kinetics-Optimized Enhanced Sampling Using Mean First Passage Times
T. Wei, B. Dudas, E. Rosta
20241 citations
Semantic Scholar
Role of Conformational Dynamics of Sulfotransferases SULT1A1 and SULT1A3 in Substrate Specificity
Daniel Toth, B. Dudas, M. Miteva, E. Balog
2023International Journal of Molecular Sciences1 citations Open access
Semantic Scholar
Induced opening of conformational switch I in GTP‐bound Ran GTPase
Janka Czigleczki, B. Dudas, E. Balog
2026Protein Science0 citations Open access
Semantic Scholar
Adaptive Normal Mode Sampling (aMDeNM) Enhances Exploration of Protein Conformational Space and Reveals the Functional Role of Frequency Coupling
P. T. Resende-Lara, M. G. S. Costa, B. Dudas, Janka Czigleczki +2 more
2026Journal of Chemical Theory and Computation0 citations Open access
Semantic Scholar
BPS2025 - Exploring the nucleotide-specific conformations of the small GTPase Ran
Janka Czigleczki, B. Dudas, E. Balog
2025Biophysical Journal0 citations Open access
Semantic Scholar
Substrate specificity of SULT1A1 and SULT1A3 elucidated by conformational dynamics
Daniel Toth, B. Dudas, E. Balog, M. Miteva
2024Biophysical Journal0 citations
Semantic Scholar
Revealing the activation mechanism of autoinhibited RalF by integrated simulation and experimental approaches
B. Dudas, D. Perahia, E. Balog
2021Scientific Reports0 citations Open access
Semantic Scholar

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E. Balog×12
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E. Balog — researcher profile on SciRah
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