| GPCRmd uncovers the dynamics of the 3D-GPCRome I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ... Nature Methods 17 (8), 777-787, 2020 | 140 | 2020 |
| QresFEP: an automated protocol for free energy calculations of protein mutations in Q W Jespers, GV Isaksen, TAH Andberg, S Vasile, A van Veen, J Åqvist, ... Journal of Chemical Theory and Computation 15 (10), 5461-5473, 2019 | 40 | 2019 |
| Elucidation of the binding mode of the Carboxyterminal region of peptide YY to the human Y2 receptor B Xu, S Vasile, S Østergaard, JF Paulsson, J Pruner, J Åqvist, BS Wulff, ... Molecular Pharmacology 93 (4), 323-334, 2018 | 30 | 2018 |
| Evolution of angiotensin peptides and peptidomimetics as angiotensin II receptor type 2 (AT2) receptor agonists S Vasile, A Hallberg, J Sallander, M Hallberg, J Åqvist, ... Biomolecules 10 (4), 649, 2020 | 23 | 2020 |
| Anion recognition by uranyl–salophen derivatives as probed by infrared multiple photon dissociation spectroscopy and Ab initio modeling E Bodo, A Ciavardini, A Dalla Cort, I Giannicchi, F Yafteh Mihan, ... Chemistry–A European Journal 20 (37), 11783-11792, 2014 | 18 | 2014 |
| Characterization of ligand binding to GPCRs through computational methods S Vasile, M Esguerra, W Jespers, A Oliveira, J Sallander, J Åqvist, ... Computational Methods for GPCR Drug Discovery, 23-44, 2018 | 12 | 2018 |
| Understanding the Structure–Activity Relationship through Density Functional Theory: A Simple Method Predicts Relative Binding Free Energies of Metalloenzyme Fragment-like … S Vasile, K Roos ACS omega 8 (24), 21438-21449, 2023 | 5 | 2023 |
| Functional characterization in vitro of twelve naturally occurring variants of the human pancreatic polypeptide receptor NPY4R K Shebanits, S Vasile, B Xu, H Gutiérrez-de-Terán, D Larhammar Neuropeptides 76, 101933, 2019 | 5 | 2019 |
| Computational prediction of ligand binding in peptide G-protein coupled receptors S Vasile Acta Universitatis Upsaliensis, 2019 | | 2019 |
| PERSPECTIVE–AXELROD SYMPOSIUM 2017 T Kenakin, K Sriram, PA Insel, MC Michel, SJ Charlton, TB Johnstone, ... | | |
