| Predicting binding affinities for GPCR ligands using free-energy perturbation EB Lenselink, J Louvel, AF Forti, JPD van Veldhoven, H de Vries, ... ACS omega 1 (2), 293-304, 2016 | 149 | 2016 |
| Homology modeling and docking evaluation of aminergic G protein-coupled receptors FM McRobb, B Capuano, IT Crosby, DK Chalmers, E Yuriev Journal of chemical information and modeling 50 (4), 626-637, 2010 | 116 | 2010 |
| In Silico Analysis of the Conservation of Human Toxicity and Endocrine Disruption Targets in Aquatic Species FM McRobb, V Sahagún, I Kufareva, R Abagyan Environmental science & technology 48 (3), 1964-1972, 2014 | 67 | 2014 |
| RETRACTED ARTICLE: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors T Ngo, AV Ilatovskiy, AG Stewart, JLJ Coleman, FM McRobb, RP Riek, ... Nature chemical biology 13 (2), 235-242, 2017 | 63* | 2017 |
| Homobivalent ligands of the atypical antipsychotic clozapine: design, synthesis, and pharmacological evaluation FM McRobb, IT Crosby, E Yuriev, JR Lane, B Capuano Journal of medicinal chemistry 55 (4), 1622-1634, 2012 | 59 | 2012 |
| Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design MS Miller, S Maheshwari, FM McRobb, KW Kinzler, LM Amzel, ... Bioorganic & medicinal chemistry 25 (4), 1481-1486, 2017 | 44 | 2017 |
| In Silico Identification and Pharmacological Evaluation of Novel Endocrine Disrupting Chemicals That Act via the Ligand-Binding Domain of the Estrogen Receptor α FM McRobb, I Kufareva, R Abagyan Toxicological Sciences 141 (1), 188-197, 2014 | 44 | 2014 |
| Molecular dynamics techniques for modeling G protein-coupled receptors FM McRobb, A Negri, T Beuming, W Sherman Current opinion in pharmacology 30, 69-75, 2016 | 35 | 2016 |
| Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrödinger Computational Platform H Tang, K Jensen, E Houang, FM McRobb, S Bhat, M Svensson, ... Journal of Medicinal Chemistry 65 (9), 6775-6802, 2022 | 29 | 2022 |
| Docking and virtual screening strategies for GPCR drug discovery T Beuming, B Lenselink, D Pala, F McRobb, M Repasky, W Sherman G protein-coupled receptors in drug discovery: Methods and protocols, 251-276, 2015 | 26 | 2015 |
| Homology modeling of human muscarinic acetylcholine receptors T Thomas, KC McLean, FM McRobb, DT Manallack, DK Chalmers, ... Journal of Chemical Information and Modeling 54 (1), 243-253, 2014 | 26 | 2014 |
| Synthesis and Pharmacological Evaluation of Dual Acting Antioxidant A2A Adenosine Receptor Agonists NE Hausler, SM Devine, FM McRobb, L Warfe, CW Pouton, JM Haynes, ... Journal of Medicinal Chemistry 55 (7), 3521-3534, 2012 | 25 | 2012 |
| The second extracellular loop of the adenosine A1 receptor mediates activity of allosteric enhancers DP Kennedy, FM McRobb, SA Leonhardt, M Purdy, H Figler, MA Marshall, ... Molecular pharmacology 85 (2), 301-309, 2014 | 24 | 2014 |
| The Synthesis and Preliminary Pharmacological Evaluation of a Series of Substituted 4′-Phenoxypropyl Analogues of the Atypical Antipsychotic Clozapine B Capuano, IT Crosby, FM McRobb, A Podloucka, DA Taylor, A Vom, ... Australian journal of chemistry 63 (1), 116-124, 2010 | 16 | 2010 |
| JL13 has clozapine-like actions on thermoregulatory cutaneous blood flow in rats: Involvement of serotonin 5-HT1A and 5-HT2A receptor mechanisms B Capuano, IT Crosby, FM McRobb, DA Taylor, A Vom, WW Blessing Progress in Neuro-Psychopharmacology and Biological Psychiatry 34 (1), 136-142, 2010 | 15 | 2010 |
| New hybrids of clozapine and haloperidol and their isosteric analogues: synthesis, X-ray crystallography, conformational analysis and preliminary pharmacological evaluation B Capuano, IT Crosby, CM Forsyth, FM McRobb, VV Moudretski, ... Structural Chemistry 21 (3), 613-628, 2010 | 8 | 2010 |
| 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors CE Masse, JR Greenwood, S Mondal, J Xu, P Ghanakota, FM McRobb, ... US Patent 12,043,632, 2024 | 4 | 2024 |
| 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors CE Masse, JR Greenwood, S Mondal, J Xu, P Ghanakota, FM McRobb, ... US Patent 11,691,963, 2023 | 4 | 2023 |
| Identification of potent paracaspase MALT1 inhibitors for hematological malignancies W Yin, N Zhe, A Placzek, M Trzoss, G Krilov, S Feng, M Lawrenz, ... Blood 136, 30, 2020 | 3 | 2020 |
| Characterization of potent paracaspase MALT1 inhibitors for hematological malignancies W Yin, Z Nie, K Dingley, M Trzoss, G Krilov, N Marshall, S Feng, ... Blood, The Journal of the American Society of Hematology 138 (Supplement 1 …, 2021 | 2 | 2021 |
