Structural Prediction of PeptideMHC Binding Modes

MAS Perez, MA Cuendet, UF Röhrig… - Computational Peptide …, 2022 - Springer
… developed to predict peptide ligands of different MHC allotypes or the … to predict the binding
of a peptide to a given MHC molecule … geometries of the ligand at the protein surface (ie, the …

A comprehensive review and performance evaluation of bioinformatics tools for HLA class I peptide-binding prediction

S Mei, F Li, A Leier, TT Marquez-Lago… - Briefings in …, 2020 - academic.oup.com
… RANKPEP [23] predicts the MHC class I-binding peptides using profile motifs by calculating
… NetMHCcons offers three options to predict peptide binding to different HLA allotypes. Each …

Algorithms for Scalable Structural Analysis of Class I Peptide-MHC Systems

JR Abella - 2020 - search.proquest.com
… : binding mode prediction, also known as geometry optimization, … 12 diverse peptides bound
to HLA-A*02:01, computed binding … of ab initio predictions of peptide binding to MHC class II …

[图书][B] Structure-Based Modeling of Peptide/MHC-I Complexes

S Nerli - 2021 - search.proquest.com
allotypes and (iii) post-translational modifications in the MHC … developed continuously to
predict peptides binding to MHC-I … statistics for the six different classes of SARS-CoV-2 epitopes …

… -Gen2. 0: Expanding Rapid Class I Peptide–Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide Geometries

R Fasoulis, MM Rigo, G Lizée… - Journal of Chemical …, 2024 - ACS Publications
… a known peptide template and approaches that follow an ab initio … sequence and the MHC
allotype, we predict the major … all the MHC templates that host a different MHC. Otherwise, …

OnionMHC: A deep learning model for peptide—HLA-A* 02: 01 binding predictions using both structure and sequence feature sets

S Saxena, S Animesh, MJ Fullwood… - … of Micromechanics and …, 2020 - World Scientific
… [2006] “Ab initio prediction of peptide-MHC binding geometry for diverse class I MHC
allotypes,” Proteins 63(3), 512–526. Berendsen, WFV and Berendsen, HJC [1988] “A leap-frog …

HLA-Arena: A customizable environment for the structural modeling and analysis of peptide-HLA complexes for cancer immunotherapy

DA Antunes, JR Abella, S Hall-Swan… - JCO clinical cancer …, 2020 - ascopubs.org
… that allow for varied structure-based analyses of peptide-HLA … geometry prediction of
peptide binding modes, peptide … The first, called APE-Gen (anchored peptide-MHC ensemble …

HLA3DB: comprehensive annotation of peptide/HLA complexes enables blind structure prediction of T cell epitopes

S Gupta, S Nerli, S Kutti Kandy, GL Mersky… - Nature …, 2023 - nature.com
… strategies sample the peptide backbone ab initio, allowing for a … -binding groove, we
modeled different regular backbone … find that peptide backbone similarity is allotype-independent …

[PDF][PDF] APE-Gen2. 0: Expanding rapid class I peptide-MHC modeling to post-translational modifications and non-canonical peptide geometries

R Fasoulis, MM Rigo, G Lizée, DA Antunes, LE Kavraki - kavrakilab.rice.edu
… The previous version of APE-Gen is using an abinitio, sampling … sequence and the MHC
allotype, we predict the major … all the MHC templates that host a different MHC. Otherwise, …

[HTML][HTML] Related parameters of affinity and stability prediction of HLA-A* 2402 restricted antigen peptides based on molecular docking

C Huang, J Chen, F Ding, L Yang, S Zhang… - Annals of …, 2021 - ncbi.nlm.nih.gov
predict the binding affinity of polypeptides with different MHC allotypes has proven to have a
fairly high prediction … , binding affinity, binding energy, affinity predicted values, and stability …