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ORCIDGiuseppe Deganutti
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Journal Articles
- 2024
[j9]Satyabrata Majumder, Giuseppe Deganutti
, Ludovico Pipitò, Dwaipayan Chaudhuri, Joyeeta Datta, Kalyan Giri:
Computational Insights into the Conformational Dynamics of HIV-1 Vpr in a Lipid Bilayer for Ion Channel Modeling. J. Chem. Inf. Model. 64(8): 3360-3374 (2024)- 2023
- [j8]Satyabrata Majumder, Giuseppe Deganutti, Ludovico Pipitò, Dwaipayan Chaudhuri, Joyeeta Datta, Kalyan Giri:
Computer-aided de novo design and optimization of novel potential inhibitors of HIV-1 Nef protein. Comput. Biol. Chem. 104: 107871 (2023) - [j7]Ludovico Pipitò, Thomas Arron Illingworth, Giuseppe Deganutti:
Targeting hPKM2 in cancer: A bio isosteric approach for ligand design. Comput. Biol. Medicine 158: 106852 (2023) - 2021
- [j6]Giuseppe Deganutti, Filippo Prischi, Christopher A. Reynolds:
Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein. J. Comput. Aided Mol. Des. 35(2): 195-207 (2021) - [j5]Giuseppe Deganutti, Kerry Barkan, Graham Ladds, Christopher A. Reynolds:
Multisite Model of Allosterism for the Adenosine A1 Receptor. J. Chem. Inf. Model. 61(4): 2001-2015 (2021) - 2020
- [j4]Silvia Atanasio, Giuseppe Deganutti, Christopher A. Reynolds:
Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics. J. Comput. Aided Mol. Des. 34(11): 1181-1193 (2020) - [j3]Giuseppe Deganutti, Stefano Moro, Christopher A. Reynolds:
A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding. J. Chem. Inf. Model. 60(3): 1804-1817 (2020) - 2018
- [j2]Enrico Margiotta, Giuseppe Deganutti, Stefano Moro:
Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench. J. Comput. Aided Mol. Des. 32(12): 1337-1346 (2018) - 2016
- [j1]Alberto Cuzzolin, Mattia Sturlese, Giuseppe Deganutti, Veronica Salmaso, Davide Sabbadin, Antonella Ciancetta, Stefano Moro:
Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations. J. Chem. Inf. Model. 56(4): 687-705 (2016)
Coauthor Index
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last updated on 2024-08-29 21:53 CEST by the dblp team
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