The following modules are included in our new contract agreement with Tripos, Inc. For an outline explaining which modules are relevant to a particular scientific field and subsequent descriptions of the modules, go to the Sybyl overview.
| Brief Description | Module Title | No. of Licenses |
|---|---|---|
| main visualizer | SYBYL Base | 32 |
| conformational analysis | Advanced Computation | 32 |
| create, display and maps molecular surfacest | Molcad | 16 |
| MD engine | Dynamics | 32 |
| pharmacophore elucidation | discotech | 16 |
| database search and analysis | UNITY | 32 |
| Databases | NCI, Maybridge and LeadQuest | N/A |
| quick geenration of 3D conformers from 2D structure | Concord | 16 |
| general simulations tools | Biopolymer | 32 |
| build 3D protein models from sequence | Composer | 16 |
| protein structure assessement tools | Pro Table | 16 |
| homology modeling/threading | GeneFold | 16 |
| binding site discovery | SiteID | 16 |
| virtual screening of ligands in proteins | FlexX | 32 |
| scoring and ranking of bound ligands | CScore | 32 |
| combinatorial libraries enumeration | Legion | 16 |
| virtual screening/docking of combi-chem libraries | CombiFlexX | 32 |
| chemical diversity analysis of combi-chem libraries | DiverseSolutions | 16 |
| chemical diversity analysis of combi-chem libraries | Selector | 16 |
| structural alignment of small molecules | FlexS | 32 |
| build QSAR models from CoMFA analysis | QSAR with CoMFA | 32 |
| specialized CoMFA tools | Advanced CoMFA | 32 |
| de novo ligand design and hit optimization | Leapfrog | 16 |
| ADME predictions | Volsurf | 16 |
| small molecules conformational analysis | Confort | 16 |
| pharmacophore model elucidation | GASP | 16 |
| pharmacphore elements elucidation | Receptor | 16 |
| fingerprint-based QSAR | HQSAR | 16 |
