| Homology modeling in drug discovery: current trends and applications CN Cavasotto, SS Phatak Drug discovery today 14 (13-14), 676-683, 2009 | 580 | 2009 |
| Protein flexibility in ligand docking and virtual screening to protein kinases CN Cavasotto, RA Abagyan Journal of molecular biology 337 (1), 209-225, 2004 | 530 | 2004 |
| Representing receptor flexibility in ligand docking through relevant normal modes CN Cavasotto, JA Kovacs, RA Abagyan Journal of the American Chemical Society 127 (26), 9632-9640, 2005 | 351 | 2005 |
| Ligand docking and structure-based virtual screening in drug discovery CN Cavasotto, W Orry, J Andrew Current topics in medicinal chemistry 7 (10), 1006-1014, 2007 | 339 | 2007 |
| Glucocorticoid receptor phosphorylation differentially affects target gene expression W Chen, T Dang, RD Blind, Z Wang, CN Cavasotto, AB Hittelman, ... Molecular Endocrinology 22 (8), 1754-1766, 2008 | 337 | 2008 |
| Discovery of novel chemotypes to a G-protein-coupled receptor through ligand-steered homology modeling and structure-based virtual screening CN Cavasotto, AJW Orry, NJ Murgolo, MF Czarniecki, SA Kocsi, ... Journal of medicinal chemistry 51 (3), 581-588, 2008 | 197 | 2008 |
| Exponential consensus ranking improves the outcome in docking and receptor ensemble docking K Palacio-Rodríguez, I Lans, CN Cavasotto, P Cossio Scientific reports 9 (1), 5142, 2019 | 145 | 2019 |
| High throughput screening for inhibitors of the HECT ubiquitin E3 ligase ITCH identifies antidepressant drugs as regulators of autophagy M Rossi, B Rotblat, K Ansell, I Amelio, M Caraglia, G Misso, F Bernassola, ... Cell death & disease 5 (5), e1203, 2014 | 128 | 2014 |
| Ligand and decoy sets for docking to G protein-coupled receptors EA Gatica, CN Cavasotto Journal of chemical information and modeling 52 (1), 1-6, 2012 | 120 | 2012 |
| Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description F Spyrakis, CN Cavasotto Archives of biochemistry and biophysics 583, 105-119, 2015 | 119 | 2015 |
| High-throughput and in silico screenings in drug discovery SS Phatak, CC Stephan, CN Cavasotto Expert opinion on drug discovery 4 (9), 947-959, 2009 | 119 | 2009 |
| In silico Drug Repurposing for COVID‐19: Targeting SARS‐CoV‐2 Proteins through Docking and Consensus Ranking CN Cavasotto, JI Di Filippo Molecular Informatics 40 (1), 2000115, 2021 | 117 | 2021 |
| Phosphorylation of liver X receptor α selectively regulates target gene expression in macrophages IP Torra, N Ismaili, JE Feig, CF Xu, C Cavasotto, R Pancratov, I Rogatsky, ... Molecular and cellular biology 28 (8), 2626-2636, 2008 | 112 | 2008 |
| In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells CN Cavasotto, MA Ortiz, RA Abagyan, FJ Piedrafita Bioorganic & medicinal chemistry letters 16 (7), 1969-1974, 2006 | 103 | 2006 |
| Structure‐based identification of binding sites, native ligands and potential inhibitors for G‐protein coupled receptors CN Cavasotto, AJW Orry, RA Abagyan Proteins: Structure, Function, and Bioinformatics 51 (3), 423-433, 2003 | 103 | 2003 |
| Structure-based development of target-specific compound libraries AJW Orry, RA Abagyan, CN Cavasotto Drug discovery today 11 (5-6), 261-266, 2006 | 102 | 2006 |
| Isoform selectivity of adenylyl cyclase inhibitors: characterization of known and novel compounds CS Brand, HJ Hocker, AA Gorfe, CN Cavasotto, CW Dessauer Journal of Pharmacology and Experimental Therapeutics 347 (2), 265-275, 2013 | 97 | 2013 |
| 2, 3‐Dihydro‐1‐Benzofuran Derivatives as a Series of Potent Selective Cannabinoid Receptor 2 Agonists: Design, Synthesis, and Binding Mode Prediction through Ligand‐Steered … P Diaz, SS Phatak, J Xu, FR Fronczek, F Astruc‐Diaz, CM Thompson, ... ChemMedChem 4 (10), 1615-1629, 2009 | 96 | 2009 |
| 6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction P Diaz, SS Phatak, J Xu, F Astruc-Diaz, CN Cavasotto, M Naguib Journal of medicinal chemistry 52 (2), 433-444, 2008 | 91 | 2008 |
| Docking-based virtual screening for ligands of G protein-coupled receptors: not only crystal structures but also in silico models S Vilar, G Ferino, SS Phatak, B Berk, CN Cavasotto, S Costanzi Journal of Molecular Graphics and Modelling 29 (5), 614-623, 2011 | 89 | 2011 |
Andrew OrrySenior Research Scientist, MolSoft LLCVerified email at molsoft.com
