| Discovery of asciminib (ABL001), an allosteric inhibitor of the tyrosine kinase activity of BCR-ABL1 J Schoepfer, W Jahnke, G Berellini, S Buonamici, S Cotesta, ... Journal of Medicinal Chemistry 61 (18), 8120-8135, 2018 | 345 | 2018 |
| Selective and specific inhibition of the Plasmodium falciparum lysyl-tRNA synthetase by the fungal secondary metabolite cladosporin D Hoepfner, CW McNamara, CS Lim, C Studer, R Riedl, T Aust, ... Cell host & microbe 11 (6), 654-663, 2012 | 241 | 2012 |
| Assessment of docking poses: interactions-based accuracy classification (IBAC) versus crystal structure deviations RT Kroemer, A Vulpetti, JJ McDonald, DC Rohrer, JY Trosset, ... Journal of Chemical Information and Computer Sciences 44 (3), 871-881, 2004 | 150 | 2004 |
| Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery W Jahnke, JM Rondeau, S Cotesta, A Marzinzik, X Pelle, M Geiser, ... Nature chemical biology 6 (9), 660-666, 2010 | 138 | 2010 |
| Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay W Jahnke, RM Grotzfeld, X Pelle, A Strauss, G Fendrich, ... Journal of the American Chemical Society 132 (20), 7043-7048, 2010 | 121 | 2010 |
| Identification of a novel series of orexin receptor antagonists with a distinct effect on sleep architecture for the treatment of insomnia C Betschart, S Hintermann, D Behnke, S Cotesta, M Fendt, CE Gee, ... Journal of medicinal chemistry 56 (19), 7590-7607, 2013 | 93 | 2013 |
| Protein dynamics, thermal stability, and free-energy landscapes: a molecular dynamics investigation I Tavernelli, S Cotesta, EE Di Iorio Biophysical journal 85 (4), 2641-2649, 2003 | 73 | 2003 |
| Structural basis of species-selective antagonist binding to the succinate receptor M Haffke, D Fehlmann, G Rummel, J Boivineau, M Duckely, ... Nature 574 (7779), 581-585, 2019 | 57 | 2019 |
| Discovery, Preclinical Characterization, and Early Clinical Activity of JDQ443, a Structurally Novel, Potent, and Selective Covalent Oral Inhibitor of KRASG12C A Weiss, E Lorthiois, L Barys, KS Beyer, C Bomio-Confaglia, H Burks, ... Cancer Discovery 12 (6), 1500-1517, 2022 | 56 | 2022 |
| Identification and evaluation of novel acetolactate synthase inhibitors as antifungal agents DL Richie, KV Thompson, C Studer, VC Prindle, T Aust, R Riedl, ... Antimicrobial agents and chemotherapy 57 (5), 2272-2280, 2013 | 53 | 2013 |
| Pyrazolopyrrolidine derivatives and their use in the treatment of disease V Bordas, S Cotesta, V Guagnano, H Rueeger, A Vaupel US Patent 8,975,417, 2015 | 47 | 2015 |
| Evolution of Novartis’ small molecule screening deck design A Schuffenhauer, N Schneider, S Hintermann, D Auld, J Blank, S Cotesta, ... Journal of medicinal chemistry 63 (23), 14425-14447, 2020 | 45 | 2020 |
| ABL001, a potent allosteric inhibitor of BCR-ABL, prevents emergence of resistant disease when administered in combination with nilotinib in an in vivo murine model of chronic … A Wylie, J Schoepfer, G Berellini, H Cai, G Caravatti, S Cotesta, S Dodd, ... Blood 124 (21), 398, 2014 | 45 | 2014 |
| Novel scoring functions comprising QXP, SASA, and protein side-chain entropy terms F Giordanetto, S Cotesta, C Catana, JY Trosset, A Vulpetti, PFW Stouten, ... Journal of chemical information and computer sciences 44 (3), 882-893, 2004 | 40 | 2004 |
| Distinct effects of IPSU and suvorexant on mouse sleep architecture D Hoyer, T Dürst, M Fendt, LH Jacobson, C Betschart, S Hintermann, ... Frontiers in neuroscience 7, 235, 2013 | 38 | 2013 |
| Kinetic properties of “dual” orexin receptor antagonists at OX1R and OX2R orexin receptors GE Callander, M Olorunda, D Monna, E Schuepbach, D Langenegger, ... Frontiers in neuroscience 7, 230, 2013 | 36 | 2013 |
| JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRASG12C for the Treatment of Solid Tumors E Lorthiois, M Gerspacher, KS Beyer, A Vaupel, C Leblanc, R Stringer, ... Journal of medicinal chemistry 65 (24), 16173-16203, 2022 | 33 | 2022 |
| The environment of amide groups in protein–ligand complexes: H-bonds and beyond S Cotesta, M Stahl Journal of Molecular Modeling 12, 436-444, 2006 | 32 | 2006 |
| Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models S Cotesta, F Giordanetto, JY Trosset, P Crivori, RT Kroemer, PFW Stouten, ... Proteins: Structure, Function, and Bioinformatics 60 (4), 629-643, 2005 | 32 | 2005 |
| Discovery of Novel Allosteric Non‐Bisphosphonate Inhibitors of Farnesyl Pyrophosphate Synthase by Integrated Lead Finding AL Marzinzik, R Amstutz, G Bold, E Bourgier, S Cotesta, JF Glickman, ... ChemMedChem 10 (11), 1884-1891, 2015 | 31 | 2015 |
