MHC binding affects the dynamics of different T-cell receptors in different ways

How peptide/MHC presence affects the dynamics of the LC13 T-cell receptor

(2019) Jose Luis Dominguez et al.   Scientific Reports

STCRDab: the structural T-cell receptor database

(2017) Jinwoo Leem et al.   NUCLEIC ACIDS RESEARCH

Mechanosensing drives acuity ofαβT-cell recognition

(2017) Yinnian Feng et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

An allosteric site in the T-cell receptor Cβ domain plays a critical signalling role

(2017) Kannan Natarajan et al.   Nature Communications

The contribution of major histocompatibility complex contacts to the affinity and kinetics of T cell receptor binding

(2016) Hao Zhang et al.   Scientific Reports

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

(2015) B. Knapp et al.   BRIEFINGS IN BIOINFORMATICS

Identification of the Docking Site for CD3 on the T Cell Receptor β Chain by Solution NMR

(2015) Yanan He et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

T-Cell Receptor Binding Affects the Dynamics of the Peptide/MHC-I Complex

(2015) Bernhard Knapp et al.   Journal of Chemical Information and Modeling

Rapid, Precise, and Reproducible Prediction of Peptide–MHC Binding Affinities from Molecular Dynamics That Correlate Well with Experiment

(2015) Shunzhou Wan et al.   Journal of Chemical Theory and Computation

Structural Features of the αβTCR Mechanotransduction Apparatus That Promote pMHC Discrimination

(2015) Kristine N. Brazin et al.   Frontiers in Immunology

Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors

(2014) David W. Wright et al.   Journal of Chemical Theory and Computation

Gro2mat: A package to efficiently read gromacs output in MATLAB

(2014) Hung Dien et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Large Scale Characterization of the LC13 TCR and HLA-B8 Structural Landscape in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

(2014) Bernhard Knapp et al.   PLoS Computational Biology

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Early Relaxation Dynamics in the LC 13 T Cell Receptor in Reaction to 172 Altered Peptide Ligands: A Molecular Dynamics Simulation Study

(2013) Bernhard Knapp et al.   PLoS One

Association of HLA-DR1 with the allergic response to the major mugwort pollen allergen: molecular background

(2012) Bernhard Knapp et al.   BMC IMMUNOLOGY

Cutting Edge: Evidence for a Dynamically Driven T Cell Signaling Mechanism

(2012) W. F. Hawse et al.   JOURNAL OF IMMUNOLOGY

How T cell receptors interact with peptide-MHCs: A multiple steered molecular dynamics study

(2011) Michel A. Cuendet et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Cutting Edge: Mechanical Forces Acting on T Cells Immobilized via the TCR Complex Can Trigger TCR Signaling

(2010) Y. C. Li et al.   JOURNAL OF IMMUNOLOGY

Antigen Ligation Triggers a Conformational Change within the Constant Domain of the αβ T Cell Receptor

(2009) Travis Beddoe et al.   IMMUNITY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Structure-based design of a T-cell receptor leads to nearly 100-fold improvement in binding affinity for pepMHC

(2008) Jaafar N. Haidar et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The receptor deformation model of TCR triggering

(2007) Zhengyu Ma et al.   FASEB JOURNAL