A free energy calculation can be used to predict K(+)-binding constants for new macrotetrolide antibiotics.
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.
Lee
J W
JW
Division of Medicinal Chemistry and Pharmacognosy, College of Pharmacy, Ohio State University, Columbus 43210-1291, USA.
Priestley
N D
ND
D000900:Anti-Bacterial Agents / Q000737:chemistry*; D018942:Macrolides; D011188:Potassium / Q000737:chemistry*; D013816:Thermodynamics
D000900:Anti-Bacterial Agents; D018942:Macrolides; D011188:Potassium