Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations
Elbahnsi, Ahmad, Dudas, Balint, Cisternino, Salvatore, Declèves, Xavier, Miteva, Maria A.
Published in Computational and structural biotechnology journal (01.12.2024)
Published in Computational and structural biotechnology journal (01.12.2024)
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Journal Article
Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition
Dudas, Balint, Bagdad, Youcef, Picard, Milan, Perahia, David, Miteva, Maria A.
Published in iScience (18.11.2022)
Published in iScience (18.11.2022)
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Journal Article
Small GTPase Ran: Depicting the nucleotide-specific conformational landscape of the functionally important C-terminus
Czigleczki, Janka, de Resende Lara, Pedro Tulio, Dudas, Balint, Jang, Hyunbum, Perahia, David, Nussinov, Ruth, Balog, Erika
Published in Frontiers in molecular biosciences (16.01.2023)
Published in Frontiers in molecular biosciences (16.01.2023)
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Journal Article
Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods
Kaynak, Burak T, Krieger, James M, Dudas, Balint, Dahmani, Zakaria L, Costa, Mauricio G S, Balog, Erika, Scott, Ana Ligia, Doruker, Pemra, Perahia, David, Bahar, Ivet
Published in Frontiers in molecular biosciences (04.02.2022)
Published in Frontiers in molecular biosciences (04.02.2022)
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Journal Article
Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor
Buigues, Pedro J., Gehrke, Sascha, Badaoui, Magd, Dudas, Balint, Mandana, Gaurav, Qi, Tianyun, Bottegoni, Giovanni, Rosta, Edina
Published in Journal of chemical theory and computation (08.08.2023)
Published in Journal of chemical theory and computation (08.08.2023)
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Journal Article
Substrate specificity of SULT1A1 and SULT1A3 elucidated by conformational dynamics
Toth, Daniel, Dudás, Bálint, Balog, Erika, Miteva, Maria
Published in Biophysical journal (08.02.2024)
Published in Biophysical journal (08.02.2024)
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Journal Article