Fast steps to success... 1) Identify the active site
Identify conserved residues by automatic sequence alignment Locate active sites in homologs by sequence matching Reveal potential binding sites with "Crevice Map" Simplify protein display with "Ribbons j and Curls" analysis I
2) Design a ligand in the pocket
NEW TM FastDock automated docking
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Ligand docking & design aided by "Adjacent surface pocket"
Automatic H-bond & bump analysis Superimpose & compare ligands
Flexible or rigid docking Color by property...
3) Prescreen the virtual library
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Can you design novel active ligands this easily? Ask to see ^gi* BioCAChe and learn how...
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Site licenses and stereoscopic displays available To request a demonstration of BioCAChe or BioMedCAChe 6.0 (= BioCAChe + QSAR) email
[email protected], call 1 503 746 3602 (USA), or visit www.CACheSoftware.com/bio
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