ListarICC_Articles por tema "Macromolecular machines"
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A fast band–Krylov eigensolver for macromolecular functional motion simulation on multicore architectures and graphics processors
Elsevier (2016-03-15)We introduce a new iterative Krylov subspace-based eigensolver for the simulation of macromolecular motions on desktop multithreaded platforms equipped with multicore processors and, possibly, a graphics accelerator (GPU). ... -
Exploring large macromolecular functional motions on clusters of multicore processors
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 ...