Márton Vass
BenevolentAI (United Kingdom)(GB)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Receptor Mechanisms and Signaling, Chemical Synthesis and Analysis, Neuropeptides and Animal Physiology, Medical Imaging Techniques and Applications
Most-Cited Works
- → Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery(2023)110 cited
- → Chemical Diversity in the G Protein-Coupled Receptor Superfamily(2018)79 cited
- → Aminergic GPCR–Ligand Interactions: A Chemical and Structural Map of Receptor Mutation Data(2018)75 cited
- → Molecular interaction fingerprint approaches for GPCR drug discovery(2016)65 cited
- → The Impact of Molecular Dynamics Sampling on the Performance of Virtual Screening against GPCRs(2013)58 cited
- → Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors(2014)48 cited
- → Multiple ligand docking by Glide: implications for virtual second-site screening(2012)37 cited
- → Multiple Fragment Docking and Linking in Primary and Secondary Pockets of Dopamine Receptors(2014)34 cited
- → Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation(2023)27 cited
- → 3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine(2017)26 cited