Revealing the activation mechanism of autoinhibited RalF by integrated simulation and experimental approaches

por Dudas, Balint, Perahia, David, Balog, Erika
Publicado 2021

Machine learning and structure-based modeling for the prediction of UDP-glucuronosyltransferase inhibition

por Dudas, Balint, Bagdad, Youcef, Picard, Milan, Perahia, David, Miteva, Maria A.
Publicado 2022

Nucleotide-Specific Autoinhibition of Full-Length K-Ras4B Identified by Extensive Conformational Sampling

por Dudas, Balint, Merzel, Franci, Jang, Hyunbum, Nussinov, Ruth, Perahia, David, Balog, Erika
Publicado 2020

Insights into the substrate binding mechanism of SULT1A1 through molecular dynamics with excited normal modes simulations

por Dudas, Balint, Toth, Daniel, Perahia, David, Nicot, Arnaud B., Balog, Erika, Miteva, Maria A.
Publicado 2021

Investigating the Unbinding of Muscarinic Antagonists from the Muscarinic 3 Receptor

por Buigues, Pedro J., Gehrke, Sascha, Badaoui, Magd, Dudas, Balint, Mandana, Gaurav, Qi, Tianyun, Bottegoni, Giovanni, Rosta, Edina
Publicado 2023

Small GTPase Ran: Depicting the nucleotide-specific conformational landscape of the functionally important C-terminus

por Czigleczki, Janka, de Resende Lara, Pedro Tulio, Dudas, Balint, Jang, Hyunbum, Perahia, David, Nussinov, Ruth, Balog, Erika
Publicado 2023

Sampling of Protein Conformational Space Using Hybrid Simulations: A Critical Assessment of Recent Methods

por 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
Publicado 2022