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Issue DateTitleAuthor(s)
16-Jul-2022Molecular dynamics simulations of an alfa-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest beta-sheet intermediate states of fibrillationPrivat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime
5-Nov-2021Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics SimulationsBarazorda-Ccahuana, Haruna L.; Nedyalkova, Miroslava; Mas i Pujadas, Francesc; Madurga Díez, Sergio
28-Sep-2021Unravelling Constant pH Molecular Dynamics in Oligopeptides with Explicit SolvationPrivat, Cristian; Madurga Díez, Sergio; Mas i Pujadas, Francesc; Rubio Martínez, Jaime