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 ideas forR-groups “ predict the level of biological activity or potency based onstructure-activity data, not just yes/no activity predictions
Ligand-basedvirtual screening: search millions of compounds overnight dont misshits because you only screened subsetted portions of your database
Cheminformatics:produce highly focused queries that avoid false positives using richset of 3D queries; on-the-fly conformational searching means you onlystore a single conformation of your molecules, keeping database sizesmall and very transportable
Docking: custom tailor and fine-tunedocking to a particular receptor site using information like SAR orknown poses to improve rank ordering of ligands.

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