Effective Parallelization of Non-bonded Interactions Kernel for Virtual Screening on GPUs [chapter]

Ginés D. Guerrero, Horacio Pérez-Sánchez, Wolfgang Wenzel, José M. Cecilia, José M. García
2011 Advances in Intelligent and Soft Computing  
In this work we discuss the benefits of using massively parallel architectures for the optimization of Virtual Screening methods. We empirically demonstrate that GPUs are well suited architecture for the acceleration of non-bonded interaction kernels, obtaining up to a 260 times sustained speedup compared to its sequential counterpart version.
doi:10.1007/978-3-642-19914-1_9 dblp:conf/pacbb/GuerreroSWCG11 fatcat:5o4iio45nje3zhtqoe3wfhdygu