Whetheryou need to find new lead candidates, optimize lead series, or performother related life science experiments like modeling a proteinstructure, SYBYL-X has solutions to move your discovery researchforward. With capabilities for small molecule modeling and simulation,macromolecular modeling and simulation, cheminformatics, leadidentification, and lead optimization, all wrapped up in an easy to use,cost-effective interface, SYBYL-X has the tools and capabilities youneed for molecular design.
Additionally, the science offered bySYBYL-X provides unique, competitive advantages in a number of areasvital for todays successful discovery research:
3D QSAR: use thepower of industry leading CoMFA in a new way to generate novel ideasfor R-groups “ predict the level of biological activity or potency basedon structure-activity data, not just yes/no activity predictions
Ligand-based virtual screening: search millions of compounds overnight dont miss hits because you only screened subsetted portions of yourdatabase
Cheminformatics: produce highly focused queries thatavoid false positives using rich set of 3D queries; on-the-flyconformational searching means you only store a single conformation ofyour molecules, keeping database size small and very transportable
Docking: custom tailor and fine-tune docking to a particular receptorsite using information like SAR or known poses to improve rank orderingof ligands.