HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR

por Ferrari, Francesca, Bissaro, Maicol, Fabbian, Simone, De Almeida Roger, Jessica, Mammi, Stefano, Moro, Stefano, Bellanda, Massimo, Sturlese, Mattia
Publicado 2020