On Structural Parameterization and Molecular Modeling of Peptide Analogues by Molecular Electronegativity Edge Vector (VMEE): Estimation and Prediction for Biological Activity of Dipeptides

Based on the distance between atoms and the electro‐negativity of each atom, a new set of descriptors called the molecular electronegativity edge vector (VMEE) being applied to de scribe the molecular structure of peptide analogues, is proposed only from the primary structure of peptides. Here sever...

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Veröffentlicht in:	Journal of the Chinese Chemical Society (Taipei) 2001-10, Vol.48 (5), p.937-944
Hauptverfasser:	Li, Shengshi Zhiliang, Fu, Bianhong, Wang, Yuanqiang, Liu, Shushen
Format:	Artikel
Sprache:	eng
Schlagworte:	Dipeptide Molecular electronegativity edge vector (VMEE) Molecular modeling Peptide analogues Quantitative structure activity relationship (QSAR) Structural parameterization
Online-Zugang:	Volltext
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