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Titolo Data di pubblicazione Autore(i) File
Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT 2010 Casini, A.; Edafe, F.; Erlandsson, M.; Gonsalvi, L.; Ciancetta, Antonella; Re, Nazzareno; Ienco, ...A.; Messori, L.; Peruzzini, M.; Dyson, P. J. file con accesso da definire
Activation of carboplatin by chloride ions: a theoretical investigation 2011 Ciancetta, Antonella; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno file con accesso da definire
A QM/MM study of the binding of RAPTA ligands to cathepsin B 2011 Ciancetta, A; Genheden, S; Ryde, U file con accesso da definire
Synthesis and Spectroscopic Characterisation of a Heterodinuclear Iron(III)-Copper(II) Complex Based on an Asymmetric Dinucleating Ligand System 2012 Heims, F; Mereacre, V; Ciancetta, A; Mebs, S; Powell, Ak; Greco, C; Ray, K file con accesso da definire
Targeting Aquaporin Function: Potent Inhibition of Aquaglyceroporin-3 by a Gold-Based Compound 2012 Martins, Ap; Marrone, ; A, ; Ciancetta, A; Cobo, Ag; Echevarria, M; Moura, Tf; Re, N; Casini, A; ...Soveral, G file con accesso da definire
Activation of Carboplatin by Carbonate 2012 Ciancetta, A; Coletti, C; Marrone, A; Re, N file con accesso da definire
Implementing the “Best Template Searching” tool into Adenosiland platform 2013 Floris, M; Sabbadin, D; Ciancetta, A; Medda, R; Cuzzolin, A; Moro, S
Revisiting a receptor-based pharmacophore hypothesis for human A(2A) adenosine receptor antagonists 2013 Bacilieri, M; Ciancetta, A; Paoletta, S; Federico, S; Cosconati, S; Cacciari, Barbara; Taliani, S...; Da Settimo, F; Novellino, E; Klotz, Kn; Spalluto, G; Moro, S. file con accesso da definire
Aquaporin inhibition by gold(III) compounds: New insights 2013 Martins, A P; Ciancetta, A; de Almeida, A; Marrone, Alessandro; Re, N; Soveral, G; Casini, Angela file con accesso da definire
2-Arylpyrazolo[4,3-d]pyrimidin-7-amino derivatives as new potent and selective human A3 adenosine receptor antagonists. Molecular modeling studies and pharmacological evaluation 2013 Squarcialupi, L.; Colotta, V.; Catarzi, D.; Varano, F.; Filacchioni, G.; Varani, Katia; Corciulo,... Carmen; Vincenzi, Fabrizio; Borea, Pier Andrea; Ghelardini, C.; Di Cesare Mannelli, L.; Ciancetta, A.; Moro, S. file con accesso da definire
Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A(2A) receptor as a case study 2014 Ciancetta, A; Cuzzolin, A; Moro, S file con accesso da definire
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: Meeting new challenges 2014 Kufareva, I.; Katritch, V.; Biggin, P.; Kim, M.; Park, K.; Jung, S. W.; Cho, A. E.; Sands, Z. A.;... Ostopovici-Halip, L.; Bologa, C. G.; Norn, C.; Brylinski, M.; Skolnick, J.; Keranen, H.; Lenselink, B. E.; Van Westen, G.; Overington, J. P.; De Teraan, H. G.; Isberg, V.; Fidom, K. M.; Lehto, T. M.; Gloriam, D. E.; Ghosh, A.; Sonavane, U.; Joshi, R.; Xia, J.; Hsieh, J. -H.; Zhang, L.; Wang, X. S.; Vogel, H.; Yuan, S.; Feng, X.; Chen, M.; Ambia, J.; Barth, P.; Gageat, C.; Stepniewski, M.; Xhaard, H.; Kelm, S.; Pitt, W. R.; Shi, J.; Larsen, A.; Li, H.; Wagner, J.; Bhattacharya, S.; Vaidehi, N.; Kanou, K.; Cvicek, V.; Kim, S. -K.; Trzaskowski, B.; Goddard, W. A.; Abrol, R.; Selvam, B.; Tikhonova, I. G.; Cuzzolin, A.; Sabbadin, D.; Ciancetta, A.; Moro, S.; Freyd, T.; Gabrielsen, M.; Kristiansen, K.; Sylte, I.; Gaffney, K. J.; Petasis, N. A.; Latek, D.; Bajda, M.; Mlynarczyk, K.; Filipek, S.; Lopez, L.; Kuiper, M.; Beuming, T.; Perez-Aguilar, J. M.; Wang, R. Y. -R.; Park, H.; Greisen, P.; Song, Y.; Dimaio, F.; Baker, D.; Shin, W. -H.; Heo, L.; Lee, G. R.; Seok, C.; Yang, J.; Zhang, Y.; Ponassi, M.; Rosano, C.; Cheremovskiy, G.; Grudinin, S.; Chaudhari, R.; Heim, A. J.; Li, Z.; Lv, Q.; Grigorov, M. G.; Hu, X.; Sun, H.; Shen, M.; Southall, N.; Jadhav, A.; Rodriguez, D.; Ranganathan, A.; Carlsson, J.; Najmanovich, R.; Durdagi, S.; De March, C.; Diharce, J.; Golebiowski, J.; Antonczak, S.; Fiorucci, S.; Nguyen, E.; Meiler, J.; Gutcaits, A.; Marti-Solano, M.; Pastor, M.; Selent, J.; Stevens, R. C.; Abagyan, R. file con accesso da definire
Perturbation of fluid dynamics properties of water molecules during G protein-coupled receptor-ligand recognition: the human A2A adenosine receptor as a key study 2014 Sabbadin, D; Ciancetta, A; Moro, S file con accesso da definire
Bridging molecular docking to membrane molecular dynamics to investigate GPCR-ligand recognition: The human A2A adenosine receptor as a key study 2014 Sabbadin, Davide; Ciancetta, Antonella; Moro, Stefano
7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: Structural investigations at the 5-position to target human A(1) and A(2A) adenosine receptors. Molecular modeling and pharmacological studies 2014 Squarcialupi, L; Colotta, V; Catarzi, D; Varano, F; Betti, M; Varani, Katia; Vincenzi, Fabrizio; ...Borea, Pier Andrea; Porta, N; Ciancetta, A; Moro, S.
Advances in Computational Techniques to Study GPCR-Ligand Recognition 2015 Ciancetta, A; Sabbadin, D; Federico, S; Spalluto, G; Moro, S file con accesso da definire
DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations 2015 Cuzzolin, Alberto; Sturlese, Mattia; Malvacio, Ivana; Ciancetta, Antonella; Moro, Stefano file con accesso da definire
“Protein-ligand docking: virtual screening and applications to drug discovery” 2015 Ciancetta, A; Moro, S file con accesso da definire
Understanding allosteric interactions in G protein-coupled receptors using Supervised Molecular Dynamics: A prototype study analysing the human A3 adenosine receptor positive allosteric modulator LUF6000 2015 Deganutti, G.; Cuzzolin, A.; Ciancetta, A.; Moro, S. file con accesso da definire
The influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl moiety on the adenosine receptors affinity profile of pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c] pyrimidine derivatives 2015 Federico, Stephanie; Redenti, Sara; Sturlese, Mattia; Ciancetta, Antonella; Kachler, Sonja; Klotz..., Karl Norbert; Cacciari, Barbara; Moro, Stefano; Spalluto, Giampiero
Mostrati risultati da 1 a 20 di 49
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