Can self‐inhibitory peptides be derived from the interfaces of globular protein–protein interactions?

N London, B Raveh… - Proteins: Structure …, 2010 - Wiley Online Library
In this study, we assess on a large scale the possibility of deriving self‐inhibitory peptides
from protein domains with globular architectures. Such inhibitory peptides would inhibit …

Prediction of MHC-peptide binding: a systematic and comprehensive overview

EM Lafuente, PA Reche - Current pharmaceutical design, 2009 - ingentaconnect.com
T cell immune responses are driven by the recognition of peptide antigens (T cell epitopes)
that are bound to major histocompatibility complex (MHC) molecules. T cell epitope …

Fully blind peptide-protein docking with pepATTRACT

CEM Schindler, SJ de Vries, M Zacharias - Structure, 2015 - cell.com
Peptide-protein interactions are ubiquitous in the cell and form an important part of the
interactome. Computational docking methods can complement experimental …

Structure-based methods for binding mode and binding affinity prediction for peptide-MHC complexes

DA Antunes, JR Abella, D Devaurs… - Current topics in …, 2018 - ingentaconnect.com
Understanding the mechanisms involved in the activation of an immune response is
essential to many fields in human health, including vaccine development and personalized …

Peptide docking and structure-based characterization of peptide binding: from knowledge to know-how

N London, B Raveh, O Schueler-Furman - Current opinion in structural …, 2013 - Elsevier
Highlights•Accrual of peptide–protein complex structures allowed their detailed
characterization.•This has lead to rapid progress in peptide docking, based on diverse …

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
The class I proteins of the major histocompatibility complex (MHC-I) display epitopic
peptides derived from endogenous proteins on the cell surface for immune surveillance …

Structure-based prediction of the peptide sequence space recognized by natural and synthetic PDZ domains

CA Smith, T Kortemme - Journal of molecular biology, 2010 - Elsevier
Protein–protein recognition, frequently mediated by members of large families of interaction
domains, is one of the cornerstones of biological function. Here, we present a computational …

Methods and protocols for prediction of immunogenic epitopes

JC Tong, TW Tan, S Ranganathan - Briefings in Bioinformatics, 2007 - academic.oup.com
T-cell recognition of peptide/major histocompatibility complex (MHC) is a prerequisite for
cellular immunity. Recently, there has been an influx of bioinformatics tools to facilitate the …

PepCrawler: a fast RRT-based algorithm for high-resolution refinement and binding affinity estimation of peptide inhibitors

E Donsky, HJ Wolfson - Bioinformatics, 2011 - academic.oup.com
Motivation: Design of protein–protein interaction (PPI) inhibitors is a key challenge in
structural bioinformatics and computer-aided drug design. Peptides, which partially mimic …

Immunogenicity screening in protein drug development

I Van Walle, Y Gansemans, PWHI Parren… - Expert opinion on …, 2007 - Taylor & Francis
Most therapeutic proteins in clinical trials or on the market are, to a variable extent,
immunogenic. Formation of antidrug antibodies poses a risk that should be assessed during …