Free energy mapping of class I MHC molecules and structural determination of bound peptides.

@article{Sezerman1996FreeEM,
  title={Free energy mapping of class I MHC molecules and structural determination of bound peptides.},
  author={Ugur Sezerman and Sandor Vajda and Charles DeLisi},
  journal={Protein science : a publication of the Protein Society},
  year={1996},
  volume={5 7},
  pages={1272-81}
}
Free energy maps of the binding site are constructed for class I major histocompatibility complex (MHC) proteins, by rotating and translating amino acid probes along the cleft, and performing a side-chain conformational search at each position. The free energy maps are used to determine favorable residue positions that are then combined to form docked peptide conformations. Because the generic backbone structural motif of peptides bound to class I MHC is known, the mapping is restricted to… CONTINUE READING
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