Ultra-fast FFT protein docking on graphics processors

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ZDOCK server: interactive docking prediction of protein-protein complexes and symmetric multimers (2014, methodology): “To facilitate protein–protein docking prediction, web-based servers have been developed for rigid-body docking (Ritchie and Venkatraman, 2010; Tovchigrechko and Vakser, 2006), flexible docking and refinement (Lyskov and Gray, 2008; Mashiach et al. , 2010; Torchala et al ., 2013), clustering (Comeau…”
Protein–protein docking by fast generalized Fourier transforms on 5D rotational manifolds (2016, neutral): “In spite of the usefulness of the above algorithm, using FFTs only in translational space has three major limitations.”
Software for molecular docking: a review (2017, methodology): “…algorithms is further accelerated computationally with the help of advanced software packages, such as the 3D convolution library (Pierce et al. 2011), and new hardware technologies, such as the graphics processing unit (GPU) (Ritchie and Venkatraman 2010) and Cell BE processor (Pons et al. 2012).”