| Chemical diversity in the G protein-coupled receptor superfamily M Vass, AJ Kooistra, D Yang, RC Stevens, MW Wang, C de Graaf Trends in Pharmacological Sciences 39 (5), 494-512, 2018 | 82 | 2018 |
| The impact of molecular dynamics sampling on the performance of virtual screening against GPCRs Á Tarcsay, G Paragi, M Vass, B Jójárt, F Bogár, GM Keserű Journal of chemical information and modeling 53 (11), 2990-2999, 2013 | 64 | 2013 |
| Aminergic gpcr–ligand interactions: A chemical and structural map of receptor mutation data M Vass, S Podlewska, IJP De Esch, AJ Bojarski, R Leurs, AJ Kooistra, ... Journal of medicinal chemistry 62 (8), 3784-3839, 2018 | 63 | 2018 |
| Molecular interaction fingerprint approaches for GPCR drug discovery M Vass, AJ Kooistra, T Ritschel, R Leurs, IJ De Esch, C De Graaf Current opinion in pharmacology 30, 59-68, 2016 | 60 | 2016 |
| Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors M Vass, É Schmidt, F Horti, GM Keserű European journal of medicinal chemistry 77, 38-46, 2014 | 58 | 2014 |
| Benchmarking refined and unrefined AlphaFold2 structures for hit discovery Y Zhang, M Vass, D Shi, E Abualrous, JM Chambers, N Chopra, C Higgs, ... Journal of Chemical Information and Modeling 63 (6), 1656-1667, 2023 | 52 | 2023 |
| Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors M Vass, É Ágai-Csongor, F Horti, GM Keserű ACS medicinal chemistry letters 5 (9), 1010-1014, 2014 | 37 | 2014 |
| Multiple ligand docking by Glide: implications for virtual second-site screening M Vass, Á Tarcsay, GM Keserű Journal of computer-aided molecular design 26 (7), 821-834, 2012 | 32 | 2012 |
| 3D-e-Chem-VM: structural cheminformatics research infrastructure in a freely available virtual machine R McGuire, S Verhoeven, M Vass, G Vriend, IJP De Esch, SJ Lusher, ... Journal of Chemical Information and Modeling 57 (2), 115-121, 2017 | 29 | 2017 |
| 3D‐e‐Chem: Structural cheminformatics workflows for computer‐aided drug discovery AJ Kooistra, M Vass, R McGuire, R Leurs, IJP de Esch, G Vriend, ... ChemMedChem 13 (6), 614-626, 2018 | 20 | 2018 |
| Cell-based and virtual fragment screening for adrenergic α2C receptor agonists E Szőllősi, A Bobok, L Kiss, M Vass, D Kurkó, S Kolok, A Visegrády, ... Bioorganic & Medicinal Chemistry 23 (14), 3991-3999, 2015 | 15 | 2015 |
| Structural insights into serotonin receptor ligands polypharmacology S Podlewska, R Kafel, E Lacivita, G Satała, AJ Kooistra, M Vass, ... European journal of medicinal chemistry 151, 797-814, 2018 | 11 | 2018 |
| Controlling the selectivity of aminergic GPCR ligands from the extracellular vestibule A Egyed, ÁA Kelemen, M Vass, A Visegrády, SA Thee, Z Wang, ... Bioorganic Chemistry 111, 104832, 2021 | 10 | 2021 |
| Discovery of novel allosteric modulators targeting an extra-helical binding site of GLP-1R using structure-and ligand-based virtual screening Q Zhou, W Guo, A Dai, X Cai, M Vass, C de Graaf, W Shui, S Zhao, ... Biomolecules 11 (7), 929, 2021 | 8 | 2021 |
| Discovery of novel positive allosteric modulators of the α7 nicotinic acetylcholine receptor: Scaffold hopping approach I Ledneczki, P Tapolcsányi, E Gábor, A Visegrády, M Vass, J Éles, P Holm, ... European Journal of Medicinal Chemistry 214, 113189, 2021 | 8 | 2021 |
| Dynamics and structural determinants of ligand recognition of the 5-HT6 receptor M Vass, B Jójárt, F Bogár, G Paragi, GM Keserű, Á Tarcsay Journal of computer-aided molecular design 29, 1137-1149, 2015 | 8 | 2015 |
| Fragments to link. A multiple docking strategy for second site binders M Vass, GM Keserű MedChemComm 4 (3), 510-514, 2013 | 7 | 2013 |
| 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 D Coskun, M Lihan, JP Rodrigues, M Vass, D Robinson, RA Friesner, ... Journal of Chemical Theory and Computation 20 (1), 477-489, 2023 | 6 | 2023 |
| A structural framework for GPCR chemogenomics: what’s in a residue number? M Vass, AJ Kooistra, S Verhoeven, D Gloriam, IJP de Esch, C de Graaf Computational Methods for GPCR Drug Discovery, 73-113, 2018 | 5 | 2018 |
| Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery. ChemRxiv, 2022 Y Zhang, M Vass, D Shi, E Abualrous, J Chambers, N Chopra, C Higgs, ... This content is a preprint and has not been peer-reviewed, 0 | 5 | |
