Exploring peptide/MHC detachment processes using hierarchical natural move Monte Carlo

Motivation: The binding between a peptide and a major histocompatibility complex (MHC) is one of the most important processes for the induction of an adaptive immune response. Many algorithms have been developed to predict peptide/MHC (pMHC) binding. However, no approach has yet been able to give structural insight into how peptides detach from the MHC. Results: In this study, we used a combination of coarse graining, hierarchical natural move Monte Carlo and stochastic conformational optimization to explore the detachment processes of 32

• Type: Journal
• Year: 2016
• Where: BIOINFORMATICS
• Authors: Bernhard Knapp, Samuel Demharter, Charlotte M. Deane, Peter Minary
• Keywords: BIOINFORMATICS 2016