Andrea Bortolato
Andrea Bortolato
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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
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
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
Unifying family A GPCR theories of activation
BG Tehan, A Bortolato, FE Blaney, MP Weir, JS Mason
Pharmacology & therapeutics 143 (1), 51-60, 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
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
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
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
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
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
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
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
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
Exploring molecular mechanisms of ligand recognition by opioid receptors with metadynamics
D Provasi, A Bortolato, M Filizola
Biochemistry 48 (42), 10020-10029, 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
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
How druggable is protein kinase CK2?
G Cozza, A Bortolato, S Moro
Medicinal Research Reviews 30 (3), 419-462, 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
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
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
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