Structure of class B GPCR corticotropin-releasing factor receptor 1 K Hollenstein, J Kean, A Bortolato, RKY Cheng, AS Doré, A Jazayeri, ... Nature 499 (7459), 438-443, 2013 | 504 | 2013 |
Generic GPCR residue numbers–aligning topology maps while minding the gaps V Isberg, C De Graaf, A Bortolato, V Cherezov, V Katritch, FH Marshall, ... Trends in pharmacological sciences 36 (1), 22-31, 2015 | 452 | 2015 |
Insights into the structure of class B GPCRs K Hollenstein, C de Graaf, A Bortolato, MW Wang, FH Marshall, ... Trends in pharmacological sciences 35 (1), 12-22, 2014 | 266 | 2014 |
Unifying family A GPCR theories of activation BG Tehan, A Bortolato, FE Blaney, MP Weir, JS Mason Pharmacology & therapeutics 143 (1), 51-60, 2014 | 230 | 2014 |
Extra-helical binding site of a glucagon receptor antagonist A Jazayeri, AS Doré, D Lamb, H Krishnamurthy, SM Southall, AH Baig, ... Nature 533 (7602), 274-277, 2016 | 208 | 2016 |
Crystal structure of the GLP-1 receptor bound to a peptide agonist A Jazayeri, M Rappas, AJH Brown, J Kean, JC Errey, NJ Robertson, ... Nature 546 (7657), 254-258, 2017 | 199 | 2017 |
Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge Strength E Segala, D Guo, RKY Cheng, A Bortolato, F Deflorian, AS Doré, JC Errey, ... Journal of medicinal chemistry 59 (13), 6470-6479, 2016 | 193 | 2016 |
New insights from structural biology into the druggability of G protein-coupled receptors JS Mason, A Bortolato, M Congreve, FH Marshall Trends in pharmacological sciences 33 (5), 249-260, 2012 | 190 | 2012 |
Coumarin as attractive casein kinase 2 (CK2) inhibitor scaffold: an integrate approach to elucidate the putative binding motif and explain structure–activity relationships A Chilin, R Battistutta, A Bortolato, G Cozza, S Zanatta, G Poletto, ... Journal of medicinal chemistry 51 (4), 752-759, 2008 | 169 | 2008 |
Water Network Perturbation in Ligand Binding: Adenosine A2A Antagonists as a Case Study A Bortolato, BG Tehan, MS Bodnarchuk, JW Essex, JS Mason Journal of chemical information and modeling 53 (7), 1700-1713, 2013 | 137 | 2013 |
The ATP‐binding site of protein kinase CK2 holds a positive electrostatic area and conserved water molecules R Battistutta, M Mazzorana, L Cendron, A Bortolato, S Sarno, ... Chembiochem 8 (15), 1804-1809, 2007 | 120 | 2007 |
Structure of C lass B GPCRs: New horizons for drug discovery A Bortolato, AS Doré, K Hollenstein, BG Tehan, JS Mason, FH Marshall British journal of pharmacology 171 (13), 3132-3145, 2014 | 118 | 2014 |
Reaction-based enumeration, active learning, and free energy calculations to rapidly explore synthetically tractable chemical space and optimize potency of cyclin-dependent … KD Konze, PH Bos, MK Dahlgren, K Leswing, I Tubert-Brohman, ... Journal of chemical information and modeling 59 (9), 3782-3793, 2019 | 111 | 2019 |
Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics D Provasi, A Bortolato, M Filizola Biochemistry 48 (42), 10020-10029, 2009 | 102 | 2009 |
Making structural sense of dimerization interfaces of delta opioid receptor homodimers JM Johnston, M Aburi, D Provasi, A Bortolato, E Urizar, NA Lambert, ... Biochemistry 50 (10), 1682-1690, 2011 | 91 | 2011 |
High end GPCR design: crafted ligand design and druggability analysis using protein structure, lipophilic hotspots and explicit water networks JS Mason, A Bortolato, DR Weiss, F Deflorian, B Tehan, FH Marshall In Silico Pharmacology 1, 1-12, 2013 | 87 | 2013 |
How druggable is protein kinase CK2? G Cozza, A Bortolato, S Moro Medicinal Research Reviews 30 (3), 419-462, 2010 | 81 | 2010 |
Decoding the Role of Water Dynamics in Ligand–Protein Unbinding: CRF1R as a Test Case A Bortolato, F Deflorian, DR Weiss, JS Mason Journal of Chemical Information and Modeling 55 (9), 1857-1866, 2015 | 63 | 2015 |
alpha-Naphthylaminopropan-2-ol Derivatives as BACE1 Inhibitors. V Asso, E Ghilardi, S Bertini, M Digiacomo, C Granchi, F Minutolo, ... ChemMedChem 3 (10), 1530-1534, 2008 | 49 | 2008 |
In silico binding free energy predictability by using the linear interaction energy (LIE) method: bromobenzimidazole CK2 inhibitors as a case study A Bortolato, S Moro Journal of chemical information and modeling 47 (2), 572-582, 2007 | 44 | 2007 |