MCM logo Molecular and Cellular Modeling
HITS gGmbH (formerly EML Research gGmbH), Heidelberg
Structure-activity relationships for OppA-peptide complexes
The periplasmic oligopeptide binding component (OppA) of the oligopeptide permease found in gram-negative bacteria acts as a receptor for peptide transport across the cell membrane and is a potential target for antibacterial drug design. COMBINE analysis (developed in our Lab) was used to derive quantitative relationships between structure and thermodynamic data (binding free energy, enthalpy and entropy) for 28 OppA-tripeptide complexes.

Wang, T. & Wade, R.C. J. Med. Chem. (2002), 45, 4828-4837.
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