A Performance and Energy Evaluation of OpenCL-accelerated Molecular Docking

Leonardo Solis-Vasquez
Leonardo Solis-Vasquez

IWOCL, 2017.

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Abstract:

Molecular Docking is a methodology used extensively in modern drug design. It aims to predict the binding position of two molecules by calculating the energy of their possible binding poses. One of the most cited docking tools is AutoDock. At its core, it solves an optimization problem by generating a large solution space of possible pose...More

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