The 3D Structure of the Binding Pocket of the Human Oxytocin Receptor for Benzoxazine Antagonists, Determined by Molecular Docking, Scoring Functions and 3D-QSAR Methods. - Balázs Jójárt; Tamás A. Martinek; Árpád Márki (J. Comput. Aided Mol. Des., 2005)

Role of Aromacity, Ring Strain, and Stereochemistry of Selected Disulfides and Their Congeners in the Oxidative Linkage of DNA Strands at the Major Groove. A Computational Study. - Robert Izsak; Balázs Jójárt; Imre G. Csizmadia; Béla Viskolcz (J. Chem. Inf. Model., 2006)

Performance of the general amber force field in modeling aqueous POPC membrane bilayers. - Balázs Jójárt; Tamás A. Martinek (J. Comput. Chem., 2007)

Activation Mechanism of the Human Histamine H4 Receptor - An Explicit Membrane Molecular Dynamics Simulation Study. - Balázs Jójárt; Robert Kiss; Béla Viskolcz; György M. Keserü (J. Chem. Inf. Model., 2008)

The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs. - Ákos Tarcsay; Gábor Paragi; Márton Vass; Balázs Jójárt; Ferenc Bogár; György M. Keserü (J. Chem. Inf. Model., 2013)

Dynamics and structural determinants of ligand recognition of the 5-HT6 receptor. - Márton Vass; Balázs Jójárt; Ferenc Bogár; Gábor Paragi; György M. Keserü; Ákos Tarcsay (J. Comput. Aided Mol. Des., 2015)

Oxidatively-mediated in silico epimerization of a highly amyloidogenic segment in the human calcitonin hormone (hCT15-19). - Ahmad Kamal M. Hamid; Joanna C. Salvatore; Ke Wang; Prashantha Murahari; Andrea Guljas; Anita Rágyanszki; Michael Owen; Balázs Jójárt; Milán Szori; Imre G. Csizmadia; Béla Viskolcz; Béla Fiser (Comput. Biol. Chem., 2019)

Tilted State Population of Antimicrobial Peptide PGLa Is Coupled to the Transmembrane Potential. - Lukács J. Németh; Tamás A. Martinek; Balázs Jójárt (J. Chem. Inf. Model., 2022)