SILCS (Site-Identification by Ligand Competitive Saturation)
Our proprietary CADD software technology, SILCS, is a computational functional group mapping technique that provides a detailed view of the entire protein surface and any particular cavities that might be available for drug design.
SILCS gives chemists an intuitive way of interacting with and visualizing this information.
Our software platform technology comprises
- Sophisticated chemical functional group mapping for proteins and other biological targets, yielding 3-D maps (FragMaps) of interaction patterns for chemical functional groups with your target molecule that guide drug design. Possible applications include: HotSpot Identification, Database Screening, Ligand Optimization, Fragment-based Ligand Design, and Receptor-based Pharmacophore Generation.
- Leading edge software builds on the patented SILCS technology, using protein-protein interaction and excipient binding predictions to give insights on excipient formulation for biological therapeutics.
- The CHARMM General Force Field program generates comprehensive parameters and topology information for a wide range of drug-like molecules, allowing their use in computer-aided drug design campaigns.
- Single Step Free Energy Perturbation allows free energy calculations 1,000 times faster than with standard FEP. Evaluate thousands of ligand modifications per hour without compromising predictability.
FragMaps guide your lead discovery
Conveniently explore 3-D FragMaps in your favorite molecular visualization software, including Autodock Tools, Pymol, MOE, and VMD. You can:
- Visualize favorable interactions with the target macromolecule
- Use these insights to design better ligands with optimally placed functional groups