QSPR technique

Creative Peptides has developed a reliable procedure for SAR analysis of peptides, we can provide global customers with the analysis of peptides based on our excellent technology.

The 3D-QSAR method used by Creative Peptides is more physicochemically meaningful and can indirectly reflect the non-bond interaction characteristics between the peptide and the target. Creative Peptides uses a method of comparative molecular similarity indices analysis (CoMSIA) for peptide analysis, the steps of which include:

Determining the active conformation of a peptide: the optimal conformation of a peptide is obtained by molecular mechanics or quantum chemical procedures.
Molecular superposition: the optimal conformation of the most active compound is used as a template, and the remaining molecules overlap with the corresponding atoms on the template molecular skeleton to minimize the root mean square deviation of the intermolecular overlap.
Calculating interaction energy
Partial least squares analysis
Finally displayed in 3D graphics

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