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Bioorg Med Chem Lett. 2001 Mar 12;11(5):675-9.

Customized versus universal scoring functions: application to class I MHC-peptide binding free energy predictions.

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  • 1Laboratoire de Pharmacochimie de la Communication Cellulaire, UMR 7081, Illkirch, France.


A tailor-made free energy scoring method (Fresno) has been compared to six universal scoring functions (Chemscore, Dock, FlexX, Gold, Pmf, Score) for predicting the binding affinity of 26 peptides to the class I human major histocompatibility protein HLA-B*2705. Fresno clearly outperforms all six universal scoring functions.

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