A free energy calculation can be used to predict K+-binding constants for new macrotetrolide antibiotics

Joan W. Lee, Nigel D. Priestley

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)1725-1728
Number of pages4
JournalBioorganic and Medicinal Chemistry Letters
Volume8
Issue number13
DOIs
StatePublished - Jul 7 1998

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