Abstract
The free energy perturbation method has been applied to calculate the binding energy of sulphonamide inhibitors to carbonic anhydrase; the agreement with experiment gives further evidence for the reliability of this method even for anionic inhibitors and supports its use in drug design.
| Original language | English |
|---|---|
| Pages (from-to) | 853-855 |
| Number of pages | 3 |
| Journal | Journal of the Chemical Society, Chemical Communications |
| Volume | 13 |
| DOIs | |
| Publication status | Published - 1989 |
| Externally published | Yes |
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Cite this
Menziani, M. C., Reynolds, C. A., & Richards, W. G. (1989). Rational drug design: Binding free energy differences of carbonic anhydrase inhibitors. Journal of the Chemical Society, Chemical Communications, 13, 853-855. https://doi.org/10.1039/C39890000853