作者: D.J. WARD , E.C. GRIFFITHS , B. ROBSON
DOI: 10.1111/J.1399-3011.1986.TB01043.X
关键词: Stereochemistry 、 Tripeptide 、 Reaction field 、 Thyrotrophin releasing hormone 、 Cis–trans isomerism 、 Molecule 、 Chemistry 、 Receptor
摘要: The solution conformations of thyrotrophin-releasing hormone (TRH), a biologically-active tripeptide, have been predicted computationally using method which represents effects as dielectric continuum surrounding the molecule throughout energy minimisation; this is described reaction field contribution. compared with previous experimental and theoretical studies. Favoured TRH under other simulated conditions also examined, including behaviour cis isomer, related to possible interactions intermediates specific receptors. relevance these predictions design analogues has analysed.