Customized versus universal scoring functions: application to class I MHC-peptide binding free energy predictions.
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.
Laboratoire de Pharmacochimie de la Communication Cellulaire, UMR 7081, Illkirch, France.
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D001666:Binding Sites, Antibody; D018360:Crystallography, X-Ray; D015235:HLA-B Antigens / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D010455:Peptides / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D011487:Protein Conformation; D013816:Thermodynamics
D015235:HLA-B Antigens; D008024:Ligands; D010455:Peptides