Effective virtual screening protocol for CYP2C9 ligands using a screening site constructed from flurbiprofen and S-warfarin pockets. - Tímea Polgár; Dóra K. Menyhárd; György M. Keserü (J. Comput. Aided Mol. Des., 2007)

Predictable Conformational Diversity in Foldamers of Sugar Amino Acids. - Dóra K. Menyhárd; Ilona Hudáky; Imre Jákli; György Juhász; András Perczel (J. Chem. Inf. Model., 2017)

Omicron Binding Mode: Contact Analysis and Dynamics of the Omicron Receptor-Binding Domain in Complex with ACE2. - Zsolt Fazekas; Dóra K. Menyhárd; András Perczel (J. Chem. Inf. Model., 2022)