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physics.comp-ph2023
Multiscale Hybrid Modeling of Proteins in Solvent: SARS-CoV2 Spike Protein as test case for Lattice Boltzmann -- All Atom Molecular Dynamics Coupling
Marco Lauricella, Letizia Chiodo, Fabio Bonaccorso +6
Physiological solvent flows surround biological structures triggering therein collective motions. Notable examples are virus/host-cell interactions and solvent-mediated allosteric…
physics.comp-ph2021★ 22 cited
LBcuda: a high-performance CUDA port of LBsoft for simulation of colloidal systems
Fabio Bonaccorso, Marco Lauricella, Andrea Montessori +5
We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles,…