Applying chemometrics approaches to model and predict the binding affinities between the human amphiphysin SH3 domain and its peptide ligands.

Abstract

In this study, we used two categories of molecular descriptors as CODESSA and DPPS (divided physicochemical property scores of amino acids) to parameterize structural characteristics of 2015 human amphiphysin SH3 domain-binding decapeptides at atom and residue levels. Based upon that, several robust quantitative structure-affinity relationship (QSAR) models… (More)

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