TY - JOUR
T1 - Rational drug design
T2 - Binding free energy differences of carbonic anhydrase inhibitors
AU - Menziani, M.C.
AU - Reynolds, C.A.
AU - Richards, W.G.
PY - 1989
Y1 - 1989
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?eid=2-s2.0-37049083401&partnerID=MN8TOARS
U2 - 10.1039/C39890000853
DO - 10.1039/C39890000853
M3 - Article
SN - 1364-548X
VL - 13
SP - 853
EP - 855
JO - Journal of the Chemical Society, Chemical Communications
JF - Journal of the Chemical Society, Chemical Communications
ER -