Challenges targeting cancer neoantigens in 2021: a systematic literature review

I Chen, MY Chen, SP Goedegebuure… - Expert review of …, 2021 - Taylor & Francis
Introduction: Cancer neoantigens represent important targets of cancer immunotherapy. The
goal of cancer neoantigen vaccines is to induce neoantigen-specific immune responses and …

[HTML][HTML] Machine learning for cancer immunotherapies based on epitope recognition by T cell receptors

A Mösch, S Raffegerst, M Weis, DJ Schendel… - Frontiers in …, 2019 - frontiersin.org
In the last years, immunotherapies have shown tremendous success as treatments for
multiple types of cancer. However, there are still many obstacles to overcome in order to …

Peptidic modulators of protein‐protein interactions: progress and challenges in computational design

M Rubinstein, MY Niv - Biopolymers: Original Research on …, 2009 - Wiley Online Library
With the decline in productivity of drug‐development efforts, novel approaches to rational
drug design are being introduced and developed. Naturally occurring and synthetic peptides …

[HTML][HTML] AnchorDock: blind and flexible anchor-driven peptide docking

A Ben-Shimon, MY Niv - Structure, 2015 - cell.com
The huge conformational space stemming from the inherent flexibility of peptides is among
the main obstacles to successful and efficient computational modeling of protein-peptide …

[HTML][HTML] General prediction of peptide-MHC binding modes using incremental docking: a proof of concept

DA Antunes, D Devaurs, M Moll, G Lizée, LE Kavraki - Scientific reports, 2018 - nature.com
The class I major histocompatibility complex (MHC) is capable of binding peptides derived
from intracellular proteins and displaying them at the cell surface. The recognition of these …

The flexible pocketome engine for structural chemogenomics

R Abagyan, I Kufareva - Chemogenomics: Methods and Applications, 2009 - Springer
Biological metabolites, substrates, cofactors, chemical probes, and drugs bind to flexible
pockets in multiple biological macromolecules to exert their biological effect. The rapid …

[HTML][HTML] DockTope: a Web-based tool for automated pMHC-I modelling

M Menegatti Rigo, D Amaral Antunes… - Scientific reports, 2015 - nature.com
The immune system is constantly challenged, being required to protect the organism against
a wide variety of infectious pathogens and, at the same time, to avoid autoimmune disorders …

Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulations

B Knapp, S Demharter, R Esmaielbeiki… - Briefings in …, 2015 - academic.oup.com
The interaction between T-cell receptors (TCRs) and major histocompatibility complex
(MHC)-bound epitopes is one of the most important processes in the adaptive human …

Structural Prediction of Peptide–MHC Binding Modes

MAS Perez, MA Cuendet, UF Röhrig… - … Science: Methods and …, 2022 - Springer
The immune system is constantly protecting its host from the invasion of pathogens and the
development of cancer cells. The specific CD8+ T-cell immune response against virus …

DynaPred: a structure and sequence based method for the prediction of MHC class I binding peptide sequences and conformations

I Antes, SWI Siu, T Lengauer - Bioinformatics, 2006 - academic.oup.com
Motivation: The binding of endogenous antigenic peptides to MHC class I molecules is an
important step during the immunologic response of a host against a pathogen. Thus, various …