Márton Vass

Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery

Yuqi Zhang, Márton Vass, Da Shi et al. · Journal of Chemical Information and Modeling · 2023 · 106 citations

The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs

Ákos Tarcsay, Gábor Paragi, Márton Vass et al. · Journal of Chemical Information and Modeling · 2013 · 58 citations

Drug Target, Engineering, Molecular Biology +20

Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors

Márton Vass, Eva Marina Schmidt, Ferenc Horti et al. · European Journal of Medicinal Chemistry · 2014 · 47 citations

Functional Selectivity, Medicine, Molecular Biology +8

Multiple ligand docking by Glide: implications for virtual second-site screening

Márton Vass, Ákos Tarcsay, György M. Keserű · Journal of Computer-Aided Molecular Design · 2012 · 37 citations

Chemical Biology, Medicinal Chemistry, Virtual Screening +11

Multiple Fragment Docking and Linking in Primary and Secondary Pockets of Dopamine Receptors

Márton Vass, Éva Ágai-Csongor, Ferenc Horti et al. · ACS Medicinal Chemistry Letters · 2014 · 34 citations · Full text

Drug Target, Molecular Biology, Dopamine Receptors +20