Sfoglia per Autore
Direct Comparison of (N)-Methanocarba and Ribose-Containing 2-Arylalkynyladenosine Derivatives as A3Receptor Agonists
2020 Tosh, D. K.; Salmaso, V.; Rao, H.; Campbell, R.; Bitant, A.; Gao, Z. -G.; Auchampach, J. A.; Jacobson, K. A.
Exploration of Alternative Scaffolds for P2Y14Receptor Antagonists Containing a Biaryl Core
2020 Jung, Y. -H.; Yu, J.; Wen, Z.; Salmaso, V.; Karcz, T. P.; Phung, N. B.; Chen, Z.; Duca, S.; Bennett, J. M.; Dudas, S.; Salvemini, D.; Gao, Z. -G.; Cook, D. N.; Jacobson, K. A.
Purinergic Signaling: Impact of GPCR Structures on Rational Drug Design
2020 Salmaso, V.; Jacobson, K. A.
Truncated (N)-Methanocarba Nucleosides as Partial Agonists at Mouse and Human A3 Adenosine Receptors: Affinity Enhancement by N6-(2-Phenylethyl) Substitution
2020 Tosh, D. K.; Salmaso, V.; Rao, H.; Bitant, A.; Fisher, C. L.; Lieberman, D. I.; Vorbruggen, H.; Reitman, M. L.; Gavrilova, O.; Gao, Z. -G.; Auchampach, J. A.; Jacobson, K. A.
Coupling Supervised Molecular Dynamics (SuMD) with Entropy Estimations To Shine Light on the Stability of Multiple Binding Sites
2019 Panday, SHAILESH KUMAR; Sturlese, Mattia; Salmaso, Veronica; Ghosh, Indira; Moro, Stefano
Design and in Vivo Characterization of A 1 Adenosine Receptor Agonists in the Native Ribose and Conformationally Constrained (N)-Methanocarba Series
2019 Tosh, D. K.; Rao, H.; Bitant, A.; Salmaso, V.; Mannes, P.; Lieberman, D. I.; Vaughan, K. L.; Mattison, J. A.; Rothwell, A. C.; Auchampach, J. A.; Ciancetta, A.; Liu, N.; Cui, Z.; Gao, Z. -G.; Reitman, M. L.; Gavrilova, O.; Jacobson, K. A.
Bridging molecular docking to molecular dynamics in exploring ligand-protein recognition process: An overview
2018 Salmaso, Veronica; Moro, Stefano
Exploring protein flexibility during docking to investigate ligand-target recognition
2018 Salmaso, Veronica
Targeting Protein Kinase CK1δ with Riluzole: Could It Be One of the Possible Missing Bricks to Interpret Its Effect in the Treatment of ALS from a Molecular Point of View?
2018 Bissaro, Maicol; Federico, Stephanie; Salmaso, Veronica; Sturlese, Mattia; Spalluto, Giampiero; Moro, Stefano
Discovery of 2-aminoimidazole and 2-amino imidazolyl-thiazoles as non-xanthine human adenosine A 3 receptor antagonists: SAR and molecular modeling studies
2018 Pandya, Amit N.; Baraiya, Arshi B.; Jalani, Hitesh B.; Pandya, Dhaivat; Kaila, Jitendra C.; Kachler, Sonja; Salmaso, Veronica; Moro, Stefano; Klotz, Karl-Norbert; Vasu, Kamala K.
[1,2,4]Triazolo[1,5-c]pyrimidines as adenosine receptor antagonists: Modifications at the 8 position to reach selectivity towards A3 adenosine receptor subtype
2018 Federico, Stephanie; Margiotta, Enrico; Salmaso, Veronica; Pastorin, Giorgia; Kachler, Sonja; Klotz, Karl-Norbert; Moro, Stefano; Spalluto, Giampiero
Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1?
2018 Deganutti, Giuseppe; Salmaso, Veronica; Moro, Stefano
Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2
2018 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
Supervised Molecular Dynamics (SuMD) Approaches in Drug Design
2018 Sabbadin, Davide; Salmaso, Veronica; Sturlese, Mattia; Moro, Stefano
AquaMMapS: an alternative tool to monitor the role of water molecules during protein-ligand association
2018 Cuzzolin, Alberto; Deganutti, Giuseppe; Salmaso, Veronica; Sturlese, Mattia; Moro, Stefano
Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach
2017 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
Synthesis, structure-activity relationships and biological evaluation of 7-phenyl-pyrroloquinolinone 3-amide derivatives as potent antimitotic agents
2017 Carta, Davide; Bortolozzi, Roberta; Sturlese, Mattia; Salmaso, Veronica; Hamel, Ernest; Basso, Giuseppe; Calderan, Laura; Quintieri, Luigi; Moro, Stefano; Viola, Giampietro; Ferlin, MARIA GRAZIA
Sulfonamido-derivatives of unsubstituted carbazoles as BACE1 inhibitors
2017 Bertini, Simone; Ghilardi, Elisa; Asso, Valentina; Minutolo, Filippo; Rapposelli, Simona; Digiacomo, Maria; Saccomanni, Giuseppe; Salmaso, Veronica; Sturlese, Mattia; Moro, Stefano; Macchia, Marco; Manera, Clementina
The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-d]pyrimidine core in affecting adenosine A1 and A2A receptor affinity and selectivity profiles
2017 Squarcialupi, Lucia; Betti, Marco; Catarzi, Daniela; Varano, Flavia; Falsini, Matteo; Ravani, Annalisa; Pasquini, Silvia; Vincenzi, Fabrizio; Salmaso, Veronica; Sturlese, Mattia; Varani, Katia; Moro, Stefano; Colotta, Vittoria
DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015
2016 Salmaso, Veronica; Sturlese, Mattia; Cuzzolin, Alberto; Moro, Stefano
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