PreprintJournal of Chemical Information and Modeling2010
Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database
Paul C. D. Hawkins, A. Geoffrey Skillman, Gregory L. Warren, et al.
OMEGA is a systematic, knowledge-based conformer generator validated against high-quality PDB and CSD structures, showing strong performance in reproducing crystallographic conformations.
1.7kMar 17, 2010