Sfoglia per Autore
Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT
file con accesso da definire2010 Casini, A.; Edafe, F.; Erlandsson, M.; Gonsalvi, L.; Ciancetta, Antonella; Re, Nazzareno; Ienco, A.; Messori, L.; Peruzzini, M.; Dyson, P. J.
Activation of carboplatin by chloride ions: a theoretical investigation
file con accesso da definire2011 Ciancetta, Antonella; Coletti, Cecilia; Marrone, Alessandro; Re, Nazzareno
A QM/MM study of the binding of RAPTA ligands to cathepsin B
file con accesso da definire2011 Ciancetta, A; Genheden, S; Ryde, U
Synthesis and Spectroscopic Characterisation of a Heterodinuclear Iron(III)-Copper(II) Complex Based on an Asymmetric Dinucleating Ligand System
file con accesso da definire2012 Heims, F; Mereacre, V; Ciancetta, A; Mebs, S; Powell, Ak; Greco, C; Ray, K
Targeting Aquaporin Function: Potent Inhibition of Aquaglyceroporin-3 by a Gold-Based Compound
file con accesso da definire2012 Martins, Ap; Marrone, ; A, ; Ciancetta, A; Cobo, Ag; Echevarria, M; Moura, Tf; Re, N; Casini, A; Soveral, G
Activation of Carboplatin by Carbonate
file con accesso da definire2012 Ciancetta, A; Coletti, C; Marrone, A; Re, N
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
file con accesso da definire2013 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.
Aquaporin inhibition by gold(III) compounds: New insights
file con accesso da definire2013 Martins, A P; Ciancetta, A; de Almeida, A; Marrone, Alessandro; Re, N; Soveral, G; Casini, Angela
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
file con accesso da definire2013 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.
Alternative quality assessment strategy to compare performances of GPCR-ligand docking protocols: the human adenosine A(2A) receptor as a case study
file con accesso da definire2014 Ciancetta, A; Cuzzolin, A; Moro, S
Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: Meeting new challenges
file con accesso da definire2014 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.
Perturbation of fluid dynamics properties of water molecules during G protein-coupled receptor-ligand recognition: the human A2A adenosine receptor as a key study
file con accesso da definire2014 Sabbadin, D; Ciancetta, A; Moro, S
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
file con accesso da definire2015 Ciancetta, A; Sabbadin, D; Federico, S; Spalluto, G; Moro, S
DockBench: An Integrated Informatic Platform Bridging the Gap between the Robust Validation of Docking Protocols and Virtual Screening Simulations
file con accesso da definire2015 Cuzzolin, Alberto; Sturlese, Mattia; Malvacio, Ivana; Ciancetta, Antonella; Moro, Stefano
“Protein-ligand docking: virtual screening and applications to drug discovery”
file con accesso da definire2015 Ciancetta, A; Moro, S
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
file con accesso da definire2015 Deganutti, G.; Cuzzolin, A.; Ciancetta, A.; Moro, S.
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
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 |
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