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Cresset BMD FieldTemplater v2.2.0
Win App | 9.0 MB | RS.COM

FieldTemplater enables you to accurately determine a 3D shape and binding model for your active compounds.
Using FieldTemplater you
• Gain new insights into how your molecules bind to the target protein
• Improve decision making through understanding of Structure Activity Relationships
• Increase diversity of synthetic targets by cross comparing actives from different chemical series
• Reduce time exploring irrelevant SAR
FieldTemplater has been designed to be used by
• Computational Chemists
• Medicinal Chemists
Unlike other methods, FieldTemplater creates meaningful, interpretable results quickly and easily. All you need is 2 or more active compounds from different chemotypes that you believe bind at the same protein active site.
A typical FieldTemplater experiment is simple:
1. Identify 3 to 5 actives from different chemical series
2. Draw them in ChemDraw then copy and paste them into FieldTemplater
3. Press "Process"
4. Select "Normal" settings and click "Go"
5. Visually inspect the results, choose the best
6. Export the best solution or just single molecule from it and use it in FieldAlign, FieldScreen or FieldStere
FieldTemplater's powerful interface allows you to
• Control every aspect of the calculation
• Examine each solution in detail
• Compare multiple solutions overlaid or side by side
• Inspect the full field around each template member
• Export results to Excel
• Export templates or single members of a template in sdf, mol2 or xed format
• Copy pictures of the templates into PowerPoint, Word etc


http://rapidshare.com/files/241515392/C.r.e.s.s.e.t.BMD.FieldTemplater.v2.2.0.rar