Ensemble Docking into Flexible Active Sites. Critical Evaluation of FlexE against JNK-3 and beta-Secretase. - Tímea Polgár; György M. Keserü (J. Chem. Inf. Model., 2006)

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)

Impact of Ligand Protonation on Virtual Screening against β-Secretase (BACE1). - Tímea Polgár; Csaba Magyar; István Simon; György M. Keserü (J. Chem. Inf. Model., 2007)

Screen3D: A Novel Fully Flexible High-Throughput Shape-Similarity Search Method. - Adrián Kalászi; Dániel Szisz; Gábor Imre; Tímea Polgár (J. Chem. Inf. Model., 2014)