未登录MiMiC: A high-performance framework for multiscale molecular dynamics simulations
Antalik, Andrej; Levy, Andrea; Kvedaraviciute, Sonata; Johnson, Sophia K.; Carrasco-Busturia, David; Raghavan, Bharath; Mouvet, Francois; Acocella, Angela; Das, Sambit; Gavini, Vikram; Mandelli, Davide; Ippoliti, Emiliano; Meloni, Simone; Carloni, Paolo; Rothlisberger, Ursula; Olsen, Jogvan Magnus Haugaard
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收藏Drug Design in the Exascale Era: A Perspective from Massively Parallel QM/MM Simulations
Raghavan, Bharath; Paulikat, Mirko; Ahmad, Katya; Callea, Lara; Rizzi, Andrea; Ippoliti, Emiliano; Mandelli, Davide; Bonati, Laura; De Vivo, Marco; Carloni, Paolo
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