| Autor: |
Diana, Guy, Jaeger, Edward P., Peterson, Melissa L., Treasurywala, Adi M. |
| Zdroj: |
Journal of Computer-Aided Molecular Design; June 1993, Vol. 7 Issue: 3 p325-335, 11p |
| Abstrakt: |
The inability to reliably predict relative orientations of drug molecules within our series of antipicornavirus agents has severely limited the usefulness of available structure-activity data in the drug design process. A reported method of overlapping molecules has been evaluated to see if it could provide a solution to this problem. Although it initially succeeded remarkably well with a series of molecules whose bound X-ray structures were known, this success was shown to be only a function of the bound conformation of these molecules. Thus, this method did not provide a general solution to the problem at hand. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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