MHC-Fine: Fine-tuned AlphaFold for Precise MHC-Peptide Complex Prediction.

ABSTRACT: The precise prediction of Major Histocompatibility Complex (MHC)-peptide complex structures is pivotal for understanding cellular immune responses and advancing vaccine design. In this study, we enhanced AlphaFold's capabilities by fine-tuning it with a specialized dataset comprised by exclusively high-resolution MHC-peptide crystal structures. This tailored approach aimed to address the generalist nature of AlphaFold's original training, which, while broad-ranging, lacked the granularity necessary for the high-precision demands of MHC-peptide interaction prediction. A comparative analysis was conducted against the homology-modeling-based method Pandora [13], as well as the AlphaFold multimer model [8]. Our results demonstrate that our fine-tuned model outperforms both in terms of RMSD (me

SUBMITTER: Glukhov E 

PROVIDER: S-EPMC10705405 | biostudies-literature | 2023 Dec

REPOSITORIES: biostudies-literature