Modeling conformational transitions in kinases by molecular dynamics simulations: achievements, difficulties, and open challenges

por D'Abramo, Marco, Besker, Neva, Chillemi, Giovanni, Grottesi, Alessandro
Publicado 2014

Computational Studies of SARS-CoV-2 3CLpro: Insights from MD Simulations

por Grottesi, Alessandro, Bešker, Neva, Emerson, Andrew, Manelfi, Candida, Beccari, Andrea R., Frigerio, Francesco, Lindahl, Erik, Cerchia, Carmen, Talarico, Carmine
Publicado 2020