Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors. - Zoltán Orgován; György G. Ferenczy; Thomas Steinbrecher; Bence Szilágyi; Dávid Bajusz; György M. Keserü (J. Comput. Aided Mol. Des., 2018)

The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu5 receptor case study. - Zoltán Orgován; György G. Ferenczy; György M. Keserü (J. Comput. Aided Mol. Des., 2019)