• closedAccess   Exploring large macromolecular functional motions on clusters of multicore processors 

      López Blanco, José R.; Reyes, Ruymán; Aliaga Estellés, José Ignacio; Badía Sala, Rosa María; Chacón, Pablo; Quintana-Orti, Enrique S. Elsevier (2013-08)
      Normal modes in internal coordinates (IC) furnish an excellent way to model functional collective motions of macromolecular machines, but exhibit a high computational cost when applied to large-sized macromolecules. In ...