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 |
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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 |