Giuseppe Deganutti

According to our database, Giuseppe Deganutti authored at least 8 papers between 2016 and 2023.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of five.

2023

Computer-aided <i>de novo</i> design and optimization of novel potential inhibitors of HIV-1 Nef protein.

Satyabrata Majumder, Giuseppe Deganutti, Ludovico Pipitò, Dwaipayan Chaudhuri, Joyeeta Datta, Kalyan Giri

Comput. Biol. Chem., June, 2023

Targeting hPKM2 in cancer: A bio isosteric approach for ligand design.

Ludovico Pipitò, Thomas Arron Illingworth, Giuseppe Deganutti

Comput. Biol. Medicine, May, 2023

2021

Multisite Model of Allosterism for the Adenosine A1 Receptor.

Giuseppe Deganutti, Kerry Barkan, Graham Ladds, Christopher A. Reynolds

J. Chem. Inf. Model., 2021

Supervised molecular dynamics for exploring the druggability of the SARS-CoV-2 spike protein.

Giuseppe Deganutti, Filippo Prischi, Christopher A. Reynolds

J. Comput. Aided Mol. Des., 2021

2020

A Supervised Molecular Dynamics Approach to Unbiased Ligand-Protein Unbinding.

Giuseppe Deganutti, Stefano Moro, Christopher A. Reynolds

J. Chem. Inf. Model., 2020

Addressing free fatty acid receptor 1 (FFAR1) activation using supervised molecular dynamics.

Silvia Atanasio, Giuseppe Deganutti, Christopher A. Reynolds

J. Comput. Aided Mol. Des., 2020

2018

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.

Enrico Margiotta, Giuseppe Deganutti, Stefano Moro

J. Comput. Aided Mol. Des., 2018

2016

Deciphering the Complexity of Ligand-Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations.

Alberto Cuzzolin, Mattia Sturlese, Giuseppe Deganutti, Veronica Salmaso, Davide Sabbadin, Antonella Ciancetta, Stefano Moro

J. Chem. Inf. Model., 2016