Structure-based methods for binding mode and binding affinity prediction for peptide-MHC complexes
Understanding the mechanisms involved in the activation of an immune response is
essential to many fields in human health, including vaccine development and personalized …
essential to many fields in human health, including vaccine development and personalized …
MPID: MHC-Peptide Interaction Database for sequence-structure-function information on peptides binding to MHC molecules
KR Govindarajan, P Kangueane, TW Tan… - …, 2003 - academic.oup.com
Binding of short antigenic peptides to Major histocompatibility complex (MHC) proteins is the
first step in T-cell mediated immune response. To understand the structural principles …
first step in T-cell mediated immune response. To understand the structural principles …
General prediction of peptide-MHC binding modes using incremental docking: a proof of concept
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 …
from intracellular proteins and displaying them at the cell surface. The recognition of these …
APE-Gen2. 0: Expanding Rapid Class I Peptide–Major Histocompatibility Complex Modeling to Post-Translational Modifications and Noncanonical Peptide …
The recognition of peptides bound to class I major histocompatibility complex (MHC-I)
receptors by T-cell receptors (TCRs) is a determinant of triggering the adaptive immune …
receptors by T-cell receptors (TCRs) is a determinant of triggering the adaptive immune …
Predicting peptide binding to Major Histocompatibility Complex molecules
WWP Liao, JW Arthur - Autoimmunity reviews, 2011 - Elsevier
The Major Histocompatibility Complex (MHC) constitutes an important part of the human
immune system. During infection, pathogenic proteins are processed into peptide fragments …
immune system. During infection, pathogenic proteins are processed into peptide fragments …
Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids
Computation methods that predict the binding of peptides to MHC-I are important tools for
screening and identifying immunogenic antigens and have the potential to accelerate …
screening and identifying immunogenic antigens and have the potential to accelerate …
Ab initio prediction of peptide‐MHC binding geometry for diverse class I MHC allotypes
AJ Bordner, R Abagyan - Proteins: Structure, Function, and …, 2006 - Wiley Online Library
Since determining the crystallographic structure of all peptide‐MHC complexes is infeasible,
an accurate prediction of the conformation is a critical computational problem. These models …
an accurate prediction of the conformation is a critical computational problem. These models …
Predicting the affinity of peptides to major histocompatibility complex class II by scoring molecular dynamics simulations
Predicting the binding affinity of peptides able to interact with major histocompatibility
complex (MHC) molecules is a priority for researchers working in the identification of novel …
complex (MHC) molecules is a priority for researchers working in the identification of novel …
Predicting peptide binding to MHC pockets via molecular modeling, implicit solvation, and global optimization
HD Schafroth, CA Floudas - Proteins: Structure, Function, and …, 2004 - Wiley Online Library
Abstract Development of a computational prediction method based on molecular modeling,
global optimization, and implicit solvation has produced accurate structure and relative …
global optimization, and implicit solvation has produced accurate structure and relative …
Rapid, precise, and reproducible prediction of peptide–MHC binding affinities from molecular dynamics that correlate well with experiment
The presentation of potentially pathogenic peptides by major histocompatibility complex
(MHC) molecules is one of the most important processes in adaptive immune defense …
(MHC) molecules is one of the most important processes in adaptive immune defense …