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)

3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine. - Ross McGuire; Stefan Verhoeven; Márton Vass; Gerrit Vriend; Iwan J. P. de Esch; Scott J. Lusher; Rob Leurs; Lars Ridder; Albert J. Kooistra; Tina Ritschel; Chris de Graaf (J. Chem. Inf. Model., 2017)

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery. - Yuqi Zhang 003; Márton Vass; Da Shi; Esam Abualrous; Jennifer M. Chambers; Nikita Chopra; Christopher Higgs; Koushik Kasavajhala; Hubert Li; Prajwal Nandekar; Hideyuki Sato; Edward B. Miller; et al. (J. Chem. Inf. Model., 2023)