Physicochemical heuristics for identifying high fidelity, near-native structural models of peptide/mhc complexes

HIGHLIGHTS

• who: Grant L. J. Keller from the Department of Chemistry and Biochemistry and the Harper Research Institute, University of Notre Dame, Notre Dame, IN, United States have published the research work: Physicochemical Heuristics for Identifying High Fidelity, Near-Native Structural Models of Peptide/MHC Complexes, in the Journal: (JOURNAL)
• what: The authors show that Frontiers in Immunology | www.frontiersin.org ranking and selecting decoys by energy is ineffective at reproducing known peptide-MHC structures. To gauge the effect of iterative changes to the approach , the authors evaluated replacing CCD with kinematic loop modeling (KIC). In . . .
  

   

  

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