FPGA Acceleration of Rigid Molecule Interactions
Modeling of molecule interactions often uses rigid models and correlation techniques, either in early screening passes or as steps within more complex models. Even rigid models are time-consuming when applied to large models at 103–105 different three-axis rotations. This paper presents an FPGA structure for performing the correlations efficiently using a systolic array for 3-D correlation and an addressing technique for low-overhead rotation of a 3-D voxel models around three axes. We find a 200× speedup in our FPGA implementation compared to the standard transform-based method.
KeywordsSystolic Array FPGA Implementation Rigid Model Voxel Model Shape Complementarity
Unable to display preview. Download preview PDF.