Articles with public access mandates - Antonella CiancettaLearn more
Not available anywhere: 9
Bridging Molecular Docking to Membrane Molecular Dynamics To Investigate GPCR–Ligand Recognition: The Human A2A Adenosine Receptor as a Key Study
D Sabbadin, A Ciancetta, S Moro
Journal of Chemical Information and Modeling 54 (1), 169-183, 2014
Mandates: Government of Italy
Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive …
G Deganutti, A Cuzzolin, A Ciancetta, S Moro
Bioorganic & Medicinal Chemistry 23 (14), 4065-4071, 2015
Mandates: European Commission, Government of Italy
Alternative Quality Assessment Strategy to Compare Performances of GPCR-Ligand Docking Protocols: The Human Adenosine A2A Receptor as a Case Study
A Ciancetta, A Cuzzolin, S Moro
Journal of Chemical Information and Modeling 54 (8), 2243-2254, 2014
Mandates: European Commission, Government of Italy
Perturbation of Fluid Dynamics Properties of Water Molecules during G Protein-Coupled Receptor–Ligand Recognition: The Human A2A Adenosine Receptor as a …
D Sabbadin, A Ciancetta, S Moro
Journal of Chemical Information and Modeling 54 (10), 2846-2855, 2014
Mandates: European Commission, Government of Italy
Scaffold Decoration at Positions 5 and 8 of 1,2,4-Triazolo[1,5-c]Pyrimidines to Explore the Antagonist Profiling on Adenosine Receptors: A Preliminary Structure …
S Federico, A Ciancetta, N Porta, S Redenti, G Pastorin, B Cacciari, ...
Journal of Medicinal Chemistry 57 (14), 6210-6225, 2014
Mandates: European Commission, Government of Italy
Structural refinement of pyrazolo [4, 3-d] pyrimidine derivatives to obtain highly potent and selective antagonists for the human A3 adenosine receptor
L Squarcialupi, D Catarzi, F Varano, M Betti, M Falsini, F Vincenzi, ...
European Journal of Medicinal Chemistry 108, 117-133, 2016
Mandates: Government of Italy
Novel aryl sulfonamide derivatives as NLRP3 inflammasome inhibitors for the potential treatment of cancer
V Albanese, S Missiroli, M Perrone, M Fabbri, C Boncompagni, S Pacifico, ...
Journal of Medicinal Chemistry 66 (7), 5223-5241, 2023
Mandates: European Commission, Government of Italy, AIRC Foundation for Cancer …
Synthesis and Spectroscopic Characterisation of a Heterodinuclear Iron (III)‐Copper (II) Complex Based on an Asymmetric Dinucleating Ligand System
F Heims, V Mereacre, A Ciancetta, S Mebs, AK Powell, C Greco, K Ray
European Journal of Inorganic Chemistry 2012 (29), 4565-4569, 2012
Mandates: German Research Foundation
In silico 3D modeling of binding activities
S Moro, M Sturlese, A Ciancetta, M Floris
In silico methods for predicting drug toxicity, 23-35, 2016
Mandates: European Commission, Government of Italy
Available somewhere: 36
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges
I Kufareva, V Katritch, RC Stevens, R Abagyan
Structure 22 (8), 1120-1139, 2014
Mandates: US National Institutes of Health
A3 Adenosine Receptors as Modulators of Inflammation: From Medicinal Chemistry to Therapy
KA Jacobson, S Merighi, K Varani, PA Borea, S Baraldi, ...
Medicinal research reviews 38 (4), 1031-1072, 2018
Mandates: US National Institutes of Health
Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT
A Casini, F Edafe, M Erlandsson, L Gonsalvi, A Ciancetta, N Re, A Ienco, ...
Dalton Transactions 39 (23), 5556-5563, 2010
Mandates: Swiss National Science Foundation
Deciphering the complexity of ligand–protein recognition pathways using supervised molecular dynamics (SuMD) simulations
A Cuzzolin, M Sturlese, G Deganutti, V Salmaso, D Sabbadin, A Ciancetta, ...
Journal of chemical information and modeling 56 (4), 687-705, 2016
Mandates: European Commission, Government of Italy
Advances in computational techniques to study GPCR–ligand recognition
A Ciancetta, D Sabbadin, S Federico, G Spalluto, S Moro
Trends in pharmacological sciences 36 (12), 878-890, 2015
Mandates: European Commission, Government of Italy
DockBench: an integrated informatic platform bridging the gap between the robust validation of docking protocols and virtual screening simulations
A Cuzzolin, M Sturlese, I Malvacio, A Ciancetta, S Moro, R Ragno
Molecules 20 (6), 9977-9993, 2015
Mandates: European Commission, Government of Italy
Structure-Guided Modification of Heterocyclic Antagonists of the P2Y14 Receptor
J Yu, A Ciancetta, S Dudas, S Duca, J Lottermoser, KA Jacobson
Journal of medicinal chemistry 61 (11), 4860-4882, 2018
Mandates: US National Institutes of Health
Exploring the recognition pathway at the human A 2A adenosine receptor of the endogenous agonist adenosine using supervised molecular dynamics simulations
D Sabbadin, A Ciancetta, G Deganutti, A Cuzzolin, S Moro
Medchemcomm 6 (6), 1081-1085, 2015
Mandates: European Commission, Government of Italy
Structure-Based Design of 3-(4-Aryl-1H-1,2,3-triazol-1-yl)-Biphenyl Derivatives as P2Y14 Receptor Antagonists
A Junker, R Balasubramanian, A Ciancetta, E Uliassi, E Kiselev, ...
Journal of Medicinal Chemistry 59 (13), 6149-6168, 2016
Mandates: US National Institutes of Health, German Research Foundation
South (S)-and North (N)-methanocarba-7-deazaadenosine analogues as inhibitors of human adenosine kinase
KS Toti, D Osborne, A Ciancetta, D Boison, KA Jacobson
Journal of medicinal chemistry 59 (14), 6860-6877, 2016
Mandates: US National Institutes of Health
A QM/MM study of the binding of RAPTA ligands to cathepsin B
A Ciancetta, S Genheden, U Ryde
Journal of computer-aided molecular design 25, 729-742, 2011
Mandates: Swedish Research Council
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