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