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Why is it important?
This is the first time a multisite receptor shows a high correlation between the predicted interaction energy and the experimental IC50 binding affinity.
Perspectives
We are improving this approach with more accurate and faster quantum mechanical approaches.
Dr Hugo J Bohorquez
Fundacion Instituto de Inmunologia de Colombia
Read the Original
This page is a summary of: Semi-empirical quantum evaluation of peptide – MHC class II binding, Chemical Physics Letters, January 2017, Elsevier,
DOI: 10.1016/j.cplett.2016.12.015.
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