| GPCRmd uncovers the dynamics of the 3D-GPCRome I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ... Nature Methods 17 (8), 777-787, 2020 | 109 | 2020 |
| Agonist-induced dimer dissociation as a macromolecular step in G protein-coupled receptor signaling J Petersen, SC Wright, D Rodríguez, P Matricon, N Lahav, A Vromen, ... Nature communications 8 (1), 226, 2017 | 77 | 2017 |
| Adenosine A2A receptor antagonists: from caffeine to selective non‐xanthines KA Jacobson, ZG Gao, P Matricon, MT Eddy, J Carlsson British Journal of Pharmacology 179 (14), 3496-3511, 2022 | 66 | 2022 |
| FZD5 is a Gαq-coupled receptor that exhibits the functional hallmarks of prototypical GPCRs SC Wright, MCA Canizal, T Benkel, K Simon, C Le Gouill, P Matricon, ... Science signaling 11 (559), eaar5536, 2018 | 59 | 2018 |
| Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A2A adenosine receptor binding site P Matricon, A Ranganathan, E Warnick, ZG Gao, A Rudling, ... Scientific reports 7 (1), 6398, 2017 | 52 | 2017 |
| Energy landscapes reveal agonist control of G protein-coupled receptor activation via microswitches O Fleetwood, P Matricon, J Carlsson, L Delemotte Biochemistry 59 (7), 880-891, 2020 | 46 | 2020 |
| Ligand design by targeting a binding site water P Matricon, RR Suresh, ZG Gao, N Panel, KA Jacobson, J Carlsson Chemical science 12 (3), 960-968, 2021 | 36 | 2021 |
| The tyrosine Y2502. 39 in Frizzled 4 defines a conserved motif important for structural integrity of the receptor and recruitment of Disheveled K Strakova, P Matricon, C Yokota, E Arthofer, O Bernatik, D Rodriguez, ... Cellular Signalling 38, 85-96, 2017 | 22 | 2017 |
| Importance of binding site hydration and flexibility revealed when optimizing a macrocyclic inhibitor of the Keap1–Nrf2 protein–protein interaction F Begnini, S Geschwindner, P Johansson, L Wissler, RJ Lewis, ... Journal of medicinal chemistry 65 (4), 3473-3517, 2022 | 18 | 2022 |
| Structure‐Guided Design of G‐Protein‐Coupled Receptor Polypharmacology S Kampen, D Duy Vo, X Zhang, N Panel, Y Yang, M Jaiteh, P Matricon, ... Angewandte Chemie International Edition 60 (33), 18022-18030, 2021 | 14 | 2021 |
| Fragment-based design of selective GPCR ligands guided by free energy simulations KAJJC Pierre Matricon, Duy Duc Vo, Zhan-Guo Gao, Jan Kihlberg Chemical Communications, 2021 | 13 | 2021 |
| Design of Drug Efficacy Guided by Free Energy Simulations of the β2‐Adrenoceptor N Panel, DD Vo, NA Kahlous, H Hübner, S Tiedt, P Matricon, J Pacalon, ... Angewandte Chemie International Edition 62 (22), e202218959, 2023 | 8 | 2023 |
| Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonists P Matricon, ATN Nguyen, DD Vo, JA Baltos, M Jaiteh, A Luttens, ... European Journal of Medicinal Chemistry 257, 115419, 2023 | 6 | 2023 |
| Energy landscapes reveal agonist control of GPCR activation via microswitches O Fleetwood, P Matricon, J Carlsson, L Delemotte BioRxiv, 627026, 2019 | 5 | 2019 |
| Alchemical Free Energy Calculations on Membrane-Associated Proteins M Papadourakis, H Sinenka, P Matricon, J Hénin, G Brannigan, ... Journal of Chemical Theory and Computation 19 (21), 7437-7458, 2023 | 2 | 2023 |
| Structure-based optimization of a macrocyclic inhibitor of the Keap1-Nrf2 protein-protein interaction F Begnini, S Geschwindner, P Johansson, L Wissler, R Lewis, E Danelius, ... | | 2021 |
| Molecular simulations of G protein-coupled receptors: A journey into structure-based ligand design and receptor function P Matricon Acta Universitatis Upsaliensis, 2021 | | 2021 |
| GPCRmd uncovers the dynamics of the 3D-GPCRome U Zachariae, H Weinstein, GD Fabritiis, PW Hildebrand, N Worp, ... Nature Methods, 2020 | | 2020 |
