Attilio Vittorio Vargiu
Orcid: 0000-0003-4013-8867
According to our database1,
Attilio Vittorio Vargiu
authored at least 5 papers
between 2010 and 2020.
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Bibliography
2020
Coupling enhanced sampling of the apo-receptor with template-based ligand conformers selection: performance in pose prediction in the D3R Grand Challenge 4.
J. Comput. Aided Mol. Des., 2020
2019
Holo-like and Druggable Protein Conformations from Enhanced Sampling of Binding Pocket Volume and Shape.
J. Chem. Inf. Model., 2019
2016
Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case.
Comput., 2016
2011
J. Comput. Aided Mol. Des., 2011
2010
Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations.
PLoS Comput. Biol., 2010