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)

Development of a Chirality-Sensitive Flexibility Descriptor for 3+3D-QSAR. - Máté Dervarics; Ferenc Ötvös; Tamás A. Martinek (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)

Predicting Order and Disorder for β-Peptide Foldamers in Water. - Lukács J. Németh; Zsófia Hegedüs; Tamás A. Martinek (J. Chem. Inf. Model., 2014)

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)