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A free energy calculation can be used to predict K(+)-binding constants for new macrotetrolide antibiotics
1Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Ohio State University, Columbus 43210-1291, USA.
Bioorganic & Medicinal Chemistry Letters
|January 5, 1999
Abstract:
A free energy calculation technique was used to predict K+ binding constants for new macrotetrolides. The technique was validated by successfully predicting affinity constants for known, naturally produced, macrotetrolides.