44 citations · 44 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2021★ 44 cited
Computationally driven discovery of SARS-CoV-2 Mpro inhibitors: from design to experimental validation
L. El Khoury, Z. Jing, A. Cuzzolin +32
We report a fast-track computationally-driven discovery of new SARS-CoV2 Main Protease (M) inhibitors whose potency range from mM for initial non-covalent ligands to sub-$μ…
q-bio.QM2020
SkeleDock: A Web Application for Scaffold Docking in PlayMolecule
Alejandro Varela-Rial, Maciej Majewski, Alberto Cuzzolin +2
SkeleDock is a scaffold docking algorithm which uses the structure of a protein-ligand complex as a template to model the binding mode of a chemically similar system. This algorith…