| Crystal structure of a full-length human tetraspanin reveals a cholesterol-binding pocket B Zimmerman, B Kelly, BJ McMillan, TCM Seegar, RO Dror, AC Kruse, ... Cell 167 (4), 1041-1051. e11, 2016 | 276 | 2016 |
| Artificial intelligence for COVID-19 drug discovery and vaccine development A Keshavarzi Arshadi, J Webb, M Salem, E Cruz, S Calad-Thomson, ... Frontiers in Artificial Intelligence 3, 65, 2020 | 215 | 2020 |
| Structure-inspired design of β-arrestin-biased ligands for aminergic GPCRs JD McCorvy, KV Butler, B Kelly, K Rechsteiner, J Karpiak, RM Betz, ... Nature chemical biology 14 (2), 126-134, 2018 | 156 | 2018 |
| Diverse GPCRs exhibit conserved water networks for stabilization and activation AJ Venkatakrishnan, AK Ma, R Fonseca, NR Latorraca, B Kelly, RM Betz, ... Proceedings of the National Academy of Sciences 116 (8), 3288-3293, 2019 | 132 | 2019 |
| Synthesis, biological evaluation and molecular modeling study of 5-trifluoromethyl-Δ2-pyrazoline and isomeric 5/3-trifluoromethylpyrazole derivatives as anti-inflammatory agents R Aggarwal, A Bansal, I Rozas, B Kelly, P Kaushik, D Kaushik European journal of medicinal chemistry 70, 350-357, 2013 | 68 | 2013 |
| Cryptic pocket formation underlies allosteric modulator selectivity at muscarinic GPCRs SA Hollingsworth, B Kelly, C Valant, JA Michaelis, O Mastromihalis, ... Nature communications 10 (1), 3289, 2019 | 56 | 2019 |
| Alzheimer's disease as an autoimmune disorder of innate immunity endogenously modulated by tryptophan metabolites FS Meier‐Stephenson, VC Meier‐Stephenson, MD Carter, AR Meek, ... Alzheimer's & Dementia: Translational Research & Clinical Interventions 8 (1 …, 2022 | 49 | 2022 |
| Non-covalent interactions: complexes of guanidinium with DNA and RNA nucleobases F Blanco, B Kelly, G Sanchez-Sanz, C Trujillo, I Alkorta, J Elguero, I Rozas The Journal of Physical Chemistry B 117 (39), 11608-11616, 2013 | 39 | 2013 |
| Effects of the novel IDO inhibitor DWG-1036 on the behavior of male and female 3xTg-AD mice E Fertan, KRJ Stover, MG Brant, PM Stafford, B Kelly, E Diez-Cecilia, ... Frontiers in Pharmacology 10, 1044, 2019 | 36 | 2019 |
| Thiophene/thiazole-benzene replacement on guanidine derivatives targeting α2-Adrenoceptors A Flood, C Trujillo, G Sanchez-Sanz, B Kelly, C Muguruza, LF Callado, ... European journal of medicinal chemistry 138, 38-50, 2017 | 36 | 2017 |
| Cation–π interactions: Complexes of guanidinium and simple aromatic systems F Blanco, B Kelly, I Alkorta, I Rozas, J Elguero Chemical Physics Letters 511 (1-3), 129-134, 2011 | 35 | 2011 |
| α2-Adrenoceptor Antagonists: Synthesis, Pharmacological Evaluation, and Molecular Modeling Investigation of Pyridinoguanidine, Pyridino-2-aminoimidazoline … B Kelly, M McMullan, C Muguruza, JE Ortega, JJ Meana, LF Callado, ... Journal of Medicinal Chemistry 58 (2), 963-977, 2015 | 34 | 2015 |
| Single-Molecule Analysis of the Supramolecular Organization of the M2 Muscarinic Receptor and the Gαi1 Protein RV Shivnaraine, DD Fernandes, H Ji, Y Li, B Kelly, Z Zhang, YR Han, ... Journal of the American Chemical Society 138 (36), 11583-11598, 2016 | 31 | 2016 |
| Guanidinium-based derivatives: Searching for new kinase inhibitors E Diez-Cecilia, B Kelly, C Perez, DM Zisterer, DK Nevin, DG Lloyd, ... European Journal of Medicinal Chemistry 81, 427-441, 2014 | 29 | 2014 |
| Pyridin-2-yl guanidine derivatives: conformational control induced by intramolecular hydrogen-bonding interactions B Kelly, DH O'Donovan, J O'Brien, T McCabe, F Blanco, I Rozas The Journal of Organic Chemistry 76 (22), 9216-9227, 2011 | 28 | 2011 |
| Synthesis of aryl-heteroaryl ureas (AHUs) based on 4-aminoquinoline and their evaluation against the insulin-like growth factor receptor (IGF-1R) W Engen, TE O’Brien, B Kelly, J Do, L Rillera, LK Stapleton, JF Youngren, ... Bioorganic & medicinal chemistry 18 (16), 5995-6005, 2010 | 26 | 2010 |
| Allosteric modulation in monomers and oligomers of a G protein-coupled receptor RV Shivnaraine, B Kelly, KS Sankar, DS Redka, YR Han, F Huang, ... Elife 5, e11685, 2016 | 24 | 2016 |
| Copper (II) chloride promoted transformation of amines into guanidines and asymmetrical N, N′-disubstituted guanidines B Kelly, I Rozas Tetrahedron Letters 54 (30), 3982-3984, 2013 | 24 | 2013 |
| One-step double reduction of aryl nitro and carbonyl groups using hydrazine E Diez-Cecilia, B Kelly, I Rozas Tetrahedron letters 52 (50), 6702-6704, 2011 | 19 | 2011 |
| Delineating the Ligand–Receptor Interactions That Lead to Biased Signaling at the μ-Opioid Receptor B Kelly, SA Hollingsworth, DC Blakemore, RM Owen, RI Storer, NA Swain, ... Journal of Chemical Information and Modeling 61 (7), 3696-3707, 2021 | 15 | 2021 |
