Rapid, precise, and reproducible prediction of peptide–MHC binding affinities from molecular dynamics that correlate well with experiment

Rapid, precise, and reproducible prediction of peptide–MHC binding affinities from molecular dynamics that correlate well with experiment

S Wan, B Knapp, DW Wright, CM Deane… - Journal of chemical …, 2015 - ACS Publications

The presentation of potentially pathogenic peptides by major histocompatibility complex
(MHC) molecules is one of the most important processes in adaptive immune defense.
Prediction of peptide–MHC (pMHC) binding affinities is therefore a principal objective of …

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