COMPUTING: Screen Savers of the World Unite!

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Parallel Computing Experiences with CUDA (2008, background): “Folding@Home is a popular application for molecular dynamics that runs on many hardware platforms.(14) The performance bottleneck for this application involves three N-body calculations over all O(N(2)) unique pairs of atoms.”
Cloud-based simulations on Google Exacycle reveal ligand-modulation of GPCR activation pathways (2013, methodology): “To capture the mechanism of β 2 AR activation, we have followed an alternative approach to MD in which we extended the principles behind the volunteer distributed computing platform Folding@home (10) to cloud computing more broadly.”
Unsupervised learning of dynamical and molecular similarity using variance minimization (2017, methodology): “…reach biologically relevant timescales (tens of milliseconds using femtosecond time steps) due to specialized hardware [Shaw et al., 2008] and distributed computing platforms such as Folding@home [Shirts and Pande, 2000], GPUGRID [Buch et al., 2010], and Google Exacy-cle [Kohlhoff et al., 2014].”
Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS (2015, background): “However, the needs of many simulation users can be met within a single node, 23 and in that context the implementation overhead of MPI libraries was too high, not to mention it is difﬁcult to employ in distributed computing.”