Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach. - Ákos Tarcsay; Robert Kiss; György M. Keserü (J. Comput. Aided Mol. Des., 2010)

Multiple ligand docking by Glide: implications for virtual second-site screening. - Márton Vass; Ákos Tarcsay; György M. Keserü (J. Comput. Aided Mol. Des., 2012)

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)