This session was presented by Paul Hawkins, OpenEye's Product Evangelist where he shared some of the fundamental science behind OMEGA, the gold standard conformation generator, and showcase recent improvements in its capabilities.
Highlights included:
- The port of the core algorithm to the GPU, providing substantial acceleration with concomitant reductions in compute time and cost;
- Extensions of OMEGA’s knowledge base to improve performance;
- Macrocycle sampling, investigating performance not only against conformations from the solid-state but also those found in solution.
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