Whether you need to find new lead candidates, optimize lead series, or perform other related life science experiments like modeling a protein structure, SYBYL®-X has solutions to move your discovery research forward. With capabilities for small molecule modeling and simulation, macromolecular modeling and simulation, cheminformatics, lead identification, and lead optimization, all wrapped up in an easy to use, cost-effective interface, SYBYL-X has the tools and capabilities you need for molecular design.
Additionally, the science offered by SYBYL-X provides unique, competitive advantages in a number of areas vital for today's successful discovery research:
3D QSAR: use the power of industry leading CoMFA in a new way to generate novel ideas for R-groups – predict the level of biological activity or potency based on structure-activity data, not just yes/no activity predictions
Ligand-based virtual screening: search millions of compounds overnight — don’t miss hits because you only screened subsetted portions of your database
Cheminformatics: produce highly focused queries that avoid false positives using rich set of 3D queries; on-the-fly conformational searching means you only store a single conformation of your molecules, keeping database size small and very transportable
Docking: custom tailor and fine-tune docking to a particular receptor site using information like SAR or known poses to improve rank ordering of ligands. |
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