Liaison(s): Barry Olafson
Eidogen, a biotechnolgy company in Pasadena, has been focused on developing computational tools to facilitate drug discovery and development. The KGI Team expanded the small molecule capabilities of Eidogen to form the foundation of inhibitor design and virtual screening systems. The team predicted structural conformers of small molecules and made comparisons of those predicted conformers with experimentally determined structures obtained from the Cambridge small molecule database. Also, the team compared known bound ligand conformations to their predicted 3D structures and assessed the changes in their conformation and conformational energies for bound ligands. The culmination of this project was a presentation to the senior management.