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HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR
Ferrari, Francesca, Bissaro, Maicol, Fabbian, Simone, De Almeida Roger, Jessica, Mammi, Stefano, Moro, Stefano, Bellanda, Massimo, Sturlese, MattiaVolume:
36
Journal:
Journal of Enzyme Inhibition and Medicinal Chemistry
DOI:
10.1080/14756366.2020.1838499
Date:
January, 2021
File:
PDF, 3.25 MB
2021