| SCUBIDOO: a large yet screenable and easily searchable database of computationally created chemical compounds optimized toward high likelihood of synthetic tractability F Chevillard, P Kolb Journal of chemical information and modeling 55 (9), 1824-1835, 2015 | 99 | 2015 |
| Virtual compound libraries in computer-assisted drug discovery N van Hilten, F Chevillard, P Kolb Journal of chemical information and modeling 59 (2), 644-651, 2019 | 73 | 2019 |
| Binding-Site Compatible Fragment Growing Applied to the Design of β2-Adrenergic Receptor Ligands F Chevillard, H Rimmer, C Betti, E Pardon, S Ballet, N van Hilten, ... Journal of Medicinal Chemistry 61 (3), 1118-1129, 2018 | 50 | 2018 |
| Nanobody‐Enabled Reverse Pharmacology on G‐Protein‐Coupled Receptors E Pardon, C Betti, T Laeremans, F Chevillard, K Guillemyn, P Kolb, ... Angewandte Chemie International Edition 57 (19), 5292-5295, 2018 | 48 | 2018 |
| In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity F Chevillard, D Lagorce, C Reynès, BO Villoutreix, P Vayer, MA Miteva Molecular pharmaceutics 9 (11), 3127-3135, 2012 | 42 | 2012 |
| Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6 VY Martiny, P Carbonell, F Chevillard, G Moroy, AB Nicot, P Vayer, ... Bioinformatics 31 (24), 3930-3937, 2015 | 35 | 2015 |
| Interrogating dense ligand chemical space with a forward-synthetic library F Chevillard, S Stotani, A Karawajczyk, S Hristeva, E Pardon, J Steyaert, ... Proceedings of the National Academy of Sciences 116 (23), 11496-11501, 2019 | 17 | 2019 |
| Improving the selectivity of 3-amidinophenylalanine-derived matriptase inhibitors O Pilgram, A Keils, GE Benary, J Müller, S Merkl, S Ngaha, S Huber, ... European Journal of Medicinal Chemistry 238, 114437, 2022 | 8 | 2022 |
| Fragment evolution for GPCRs: The role of secondary binding sites in optimization F Chevillard, Á Kelemen, JG Baker, VA Aranyodi, F Balzer, P Kolb, ... Chemical Communications 57 (81), 10516-10519, 2021 | 5 | 2021 |
| Improved approaches to ligand growing through fragment docking and fragment-based library design F Chevillard Philipps-Universität Marburg, 2016 | 3 | 2016 |
| Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase L Heyder, PMM Hochban, C Taylor, F Chevillard, C Siefker, C Iking, ... European Journal of Medicinal Chemistry 245, 114914, 2023 | 2 | 2023 |
| In silico searches for selective small-molecule ligands of GPCRs with highly designed libraries P Kolb, F Chevillard, D Schmidt ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018 | | 2018 |
Peter KolbPhilipps-University MarburgAdresse e-mail validée de uni-marburg.de
