| Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges I Kufareva, V Katritch, RC Stevens, R Abagyan Structure 22 (8), 1120-1139, 2014 | 187 | 2014 |
| High-resolution structure of a BRICHOS domain and its implications for anti-amyloid chaperone activity on lung surfactant protein C H Willander, G Askarieh, M Landreh, P Westermark, K Nordling, ... Proceedings of the National Academy of Sciences 109 (7), 2325-2329, 2012 | 147 | 2012 |
| Acylguanidine beta secretase 1 inhibitors: A combined experimental and free energy perturbation study H Keranen, L Pérez-Benito, M Ciordia, F Delgado, TB Steinbrecher, ... Journal of Chemical Theory and Computation 13 (3), 1439-1453, 2017 | 74 | 2017 |
| Computational identification of uncharacterized cruzain binding sites JD Durrant, H Keränen, BA Wilson, JA McCammon PLoS neglected tropical diseases 4 (5), e676, 2010 | 70 | 2010 |
| Structural and Energetic Effects of A2A Adenosine Receptor Mutations on Agonist and Antagonist Binding H Keränen, H Gutiérrez-de-Terán, J Åqvist PloS one 9 (10), e108492, 2014 | 58 | 2014 |
| Predicting binding free energies of PDE2 inhibitors. The difficulties of protein conformation L Pérez-Benito, H Keränen, H van Vlijmen, G Tresadern Scientific reports 8 (1), 4883, 2018 | 57 | 2018 |
| Computer simulations of structure–activity relationships for hERG channel blockers L Boukharta, H Keränen, A Stary-Weinzinger, G Wallin, BL de Groot, ... Biochemistry 50 (27), 6146-6156, 2011 | 50 | 2011 |
| Novel cruzain inhibitors for the treatment of Chagas’ disease KE Rogers, H Keränen, JD Durrant, J Ratnam, A Doak, MR Arkin, ... Chemical biology & drug design 80 (3), 398-405, 2012 | 45 | 2012 |
| Free energy calculations of A 2A adenosine receptor mutation effects on agonist binding H Keränen, J Åqvist, H Gutiérrez-de-Terán Chemical Communications 51 (17), 3522-3525, 2015 | 44 | 2015 |
| X‐Ray Crystallography and Free Energy Calculations Reveal the Binding Mechanism of A2A Adenosine Receptor Antagonists W Jespers, G Verdon, J Azuaje, M Majellaro, H Keränen, X García‐Mera, ... Angewandte Chemie International Edition 59 (38), 16536-16543, 2020 | 30 | 2020 |
| Computer-aided design of GPCR ligands H Gutiérrez-de-Terán, H Keränen, J Azuaje, D Rodríguez, J Åqvist, ... G Protein-Coupled Receptor Screening Assays: Methods and Protocols, 271-291, 2015 | 14 | 2015 |
| PLoS Neglected Trop JD Durrant, H Keränen, BA Wilson, JA McCammon Dis 4, e676, 2010 | 4 | 2010 |
| Structural and Energetic Effects of A2A Adenosine Receptor Mutations on Agonist and Antagonist H Keränen, H Gutiérrez-de-Terán, J Åqvist | | 2014 |
| Advances in Ligand Binding Predictions using Molecular Dynamics Simulations H Keränen Uppsala universitet, 2014 | | 2014 |
