OMEGA was designed for use with the large libraries required for computer-aided drug design. It generates multi-conformer structure databases with high speed and reliability.
OMEGA performs rapid conformational expansion of drug-like molecules, yielding a throughput of tens of thousands of compounds per day per processor.
OMEGA is very effective at reproducing bioactive conformations [1,2
OMEGA conformational databases can be used as input to a variety of applications including docking engines (FRED), shape comparison tools (ROCS) and pharmacophore perception algorithms.
OMEGA's knowledge-based approach produces high-quality conformers, superior to those of many other methods [4]. It has also been found to be the fastest of commercially available conformer generators [5,6].
For more detailed information on OMEGA, check out the links below:Decisions with Confidence: Application to the Conformation Sampling of Molecules in the Solid State, Hawkins, P.C.D., Wlodek, S., J Chem Inf Model, 2020, 60, 3518-3533. (doi: 10.1021/acs.jcim.0c00358)