HLA-EpiCheck: novel approach for HLA B-cell epitope prediction using 3D-surface patch descriptors derived from molecular dynamic simulations.

ABSTRACT:

Motivation

The human leukocyte antigen (HLA) system is the main cause of organ transplant loss through the recognition of HLAs present on the graft by donor-specific antibodies raised by the recipient. It is therefore of key importance to identify all potentially immunogenic B-cell epitopes on HLAs in order to refine organ allocation. Such HLAs epitopes are currently characterized by the presence of polymorphic residues called "eplets". However, many polymorphic positions in HLAs sequences are not yet experimentally confirmed as eplets associated with a HLA epitope. Moreover, structural studies of these epitopes only consider 3D static structures.

Results

We present here a machine-learning approach for predicting HLA epitopes, based on 3D-surface patches and molecular dynami

SUBMITTER: Amaya-Ramirez D 

PROVIDER: S-EPMC11631505 | biostudies-literature | 2024

REPOSITORIES: biostudies-literature