Related references
Note: Only part of the references are listed.Flexibility of the MHC Class II Peptide Binding Cleft in the Bound, Partially Filled, and Empty States: A molecular Dynamics Simulation Study
Rakina Yaneva et al.
BIOPOLYMERS (2009)
3-Layer-based analysis of peptide-MHC interaction: In silico prediction, peptide binding affinity and T cell activation in a relevant allergen-specific model
Bernhard Knapp et al.
MOLECULAR IMMUNOLOGY (2009)
Protein-protein interaction investigated by steered molecular dynamics: The TCR-pMHC complex
Michel A. Cuendet et al.
BIOPHYSICAL JOURNAL (2008)
HLA-B27 subtypes differentially associated with disease exhibit conformational differences in solution
Heinz Febian et al.
JOURNAL OF MOLECULAR BIOLOGY (2008)
Toward an atomistic understanding of the immune synapse: Large-scale molecular dynamics simulation of a membrane-embedded TCR-pMHC-CD4 complex
Shunzhou Wan et al.
MOLECULAR IMMUNOLOGY (2008)
Analysis of key parameters for molecular dynamics of pMHC molecules
Ulrich Omasits et al.
MOLECULAR SIMULATION (2008)
Model for the Peptide-Free Conformation of Class II MHC Proteins
Corrie A. Painter et al.
PLOS ONE (2008)
Solution mapping of T cell receptor docking footprints on peptide-MHC
Luca Varani et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)
Comparison of proposed putative active conformations of myelin basic protein epitope 87-99 linear altered peptide ligands by spectroscopic and modelling studies: The role of positions 91 and 96 in T-cell receptor activation
Efthimia D. Mantzourani et al.
JOURNAL OF MEDICINAL CHEMISTRY (2006)
A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87-99
E. D. Mantzourani et al.
JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2006)
Conformational flexibility of the MHC class I α1-α2 domain in peptide bound and free states:: A molecular dynamics simulation study
M Zacharias et al.
BIOPHYSICAL JOURNAL (2004)
A naturally selected dimorphism within the HLA-B44 supertype alters class I structure, peptide repertoire, and T cell recognition
WA Macdonald et al.
JOURNAL OF EXPERIMENTAL MEDICINE (2003)
A graph-theory algorithm for rapid protein side-chain prediction
AA Canutescu et al.
PROTEIN SCIENCE (2003)
Structural snapshot of aberrant antigen presentation linked to autoimmunity:: The immunodominant epitope of MBP complexed with I-Au
XL He et al.
IMMUNITY (2002)
Minor structural changes in a mutated human melanoma antigen correspond to dramatically enhanced stimulation of a CD4+ tumor-infiltrating lymphocyte line
EJ Sundberg et al.
JOURNAL OF MOLECULAR BIOLOGY (2002)
Molecular dynamics simulations
T Hansson et al.
CURRENT OPINION IN STRUCTURAL BIOLOGY (2002)
GROMACS 3.0: a package for molecular simulation and trajectory analysis
E Lindahl et al.
JOURNAL OF MOLECULAR MODELING (2001)
Modeling the interactions of a peptide-major histocompatibility class I ligand with its receptors. I. Recognition by two alpha beta T cell receptors
D Rognan et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2000)