Items where Author is "Moro, Stefano"

Bolcato, Giovanni and Bissaro, Maicol and Deganutti, Giuseppe and Sturlese, Mattia and Moro, Stefano (2020) New insights into key determinants for adenosine 1 receptor antagonists selectivity using supervised molecular dynamics simulations. Biomolecules, 10 (5). p. 732. DOI https://doi.org/10.3390/biom10050732

Deganutti, Giuseppe and Moro, Stefano and Reynolds, Christopher A (2020) A Supervised Molecular Dynamics Approach to Unbiased Ligand–Protein Unbinding. Journal of Chemical Information and Modeling, 60 (3). pp. 1804-1817. DOI https://doi.org/10.1021/acs.jcim.9b01094

Deganutti, Giuseppe and Moro, Stefano and Reynolds, Christopher A (2019) Peeking at G-protein-coupled receptors through the molecular dynamics keyhole. Future Medicinal Chemistry, 11 (6). pp. 599-615. DOI https://doi.org/10.4155/fmc-2018-0393