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Giuseppe Deganutti

Showing results (1-10 of 57) with videos related to

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Future Medicinal Chemistry|April 1, 2017
Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategiesGiuseppe Deganutti, Stefano Moro
Molecules (Basel, Switzerland)|May 17, 2017
Supporting the Identification of Novel Fragment-Based Positive Allosteric Modulators Using a Supervised Molecular Dynamics Approach: A Retrospective Analysis Considering the Human A2A Adenosine Receptor as a Key ExampleGiuseppe Deganutti, Stefano Moro
Chemmedchem|May 19, 2017
Comparison of the Human A<sub>2A</sub> Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics SimulationsGiuseppe Deganutti, Ajith Welihinda, Stefano Moro
Journal of Computer-Aided Molecular Design|October 27, 2018
Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A<sub>2A</sub> adenosine receptor orthosteric binding site using a molecular docking approach? Insights from DockbenchEnrico Margiotta, Giuseppe Deganutti, Stefano Moro
Molecular Informatics|April 20, 2018
Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1?Giuseppe Deganutti, Veronica Salmaso, Stefano Moro
Journal of Chemical Information and Modeling|March 4, 2020
A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein UnbindingGiuseppe Deganutti, Stefano Moro, Christopher A Reynolds
Journal of Computer-Aided Molecular Design|October 26, 2020
Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike proteinGiuseppe Deganutti, Filippo Prischi, Christopher A Reynolds
Journal of Computer-Aided Molecular Design|August 28, 2020
Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamicsSilvia Atanasio, Giuseppe Deganutti, Christopher A Reynolds
Computers in Biology and Medicine|April 12, 2023
Targeting hPKM2 in cancer: A bio isosteric approach for ligand designLudovico Pipitò, Thomas Arron Illingworth, Giuseppe Deganutti
Viruses|December 23, 2022
Is the Stalk of the SARS-CoV-2 Spike Protein Druggable?Ludovico Pipitò, Christopher A Reynolds, Giuseppe Deganutti
Pageof 6

Showing results (1-10 of 57) with videos related to

Sort By:
Pageof 6
Future Medicinal Chemistry|April 1, 2017
Estimation of kinetic and thermodynamic ligand-binding parameters using computational strategiesGiuseppe Deganutti, Stefano Moro
Molecules (Basel, Switzerland)|May 17, 2017
Supporting the Identification of Novel Fragment-Based Positive Allosteric Modulators Using a Supervised Molecular Dynamics Approach: A Retrospective Analysis Considering the Human A2A Adenosine Receptor as a Key ExampleGiuseppe Deganutti, Stefano Moro
Chemmedchem|May 19, 2017
Comparison of the Human A<sub>2A</sub> Adenosine Receptor Recognition by Adenosine and Inosine: New Insight from Supervised Molecular Dynamics SimulationsGiuseppe Deganutti, Ajith Welihinda, Stefano Moro
Journal of Computer-Aided Molecular Design|October 27, 2018
Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A<sub>2A</sub> adenosine receptor orthosteric binding site using a molecular docking approach? Insights from DockbenchEnrico Margiotta, Giuseppe Deganutti, Stefano Moro
Molecular Informatics|April 20, 2018
Could Adenosine Recognize its Receptors with a Stoichiometry Other than 1 : 1?Giuseppe Deganutti, Veronica Salmaso, Stefano Moro
Journal of Chemical Information and Modeling|March 4, 2020
A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein UnbindingGiuseppe Deganutti, Stefano Moro, Christopher A Reynolds
Journal of Computer-Aided Molecular Design|October 26, 2020
Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike proteinGiuseppe Deganutti, Filippo Prischi, Christopher A Reynolds
Journal of Computer-Aided Molecular Design|August 28, 2020
Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamicsSilvia Atanasio, Giuseppe Deganutti, Christopher A Reynolds
Computers in Biology and Medicine|April 12, 2023
Targeting hPKM2 in cancer: A bio isosteric approach for ligand designLudovico Pipitò, Thomas Arron Illingworth, Giuseppe Deganutti
Viruses|December 23, 2022
Is the Stalk of the SARS-CoV-2 Spike Protein Druggable?Ludovico Pipitò, Christopher A Reynolds, Giuseppe Deganutti
Pageof 6