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

From Induced Fit to Conformational Selection: A Continuum of Binding Mechanism Controlled by the Timescale of Conformational Transitions

(2010) Huan-Xiang Zhou   BIOPHYSICAL JOURNAL

MM-GBSA binding free energy decomposition and T cell receptor engineering

(2010) V. Zoete et al.   JOURNAL OF MOLECULAR RECOGNITION

Hard wiring of T cell receptor specificity for the major histocompatibility complex is underpinned by TCR adaptability

(2010) S. R. Burrows et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Folding and binding cascades: Dynamic landscapes and population shifts

(2010) Sandeep Kumar et al.   PROTEIN SCIENCE

Fluorine substitutions in an antigenic peptide selectively modulate T-cell receptor binding in a minimally perturbing manner

(2009) Kurt H. Piepenbrink et al.   BIOCHEMICAL JOURNAL

Functional aspects of protein flexibility

(2009) Kaare Teilum et al.   CELLULAR AND MOLECULAR LIFE SCIENCES

T Cell Receptor Cross-reactivity Directed by Antigen-Dependent Tuning of Peptide-MHC Molecular Flexibility

(2009) Oleg Y. Borbulevych et al.   IMMUNITY

Evolutionarily Conserved Amino Acids That Control TCR-MHC Interaction

(2008) Philippa Marrack et al.   Annual Review of Immunology

Conformational changes and flexibility in T-cell receptor recognition of peptide–MHC complexes

(2008) Kathryn M. Armstrong et al.   BIOCHEMICAL JOURNAL

Protein-Protein Interaction Investigated by Steered Molecular Dynamics: The TCR-pMHC Complex

(2008) Michel A. Cuendet et al.   BIOPHYSICAL JOURNAL

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

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

Thermodynamics of T‐cell receptor–peptide/MHC interactions: progress and opportunities

(2008) Kathryn M. Armstrong et al.   JOURNAL OF MOLECULAR RECOGNITION

BIOCHEMISTRY: How Do Proteins Interact?

(2008) D. D. Boehr et al.   SCIENCE

On the Contribution of Water-Mediated Interactions to Protein-Complex Stability†

(2007) Dana Reichmann et al.   BIOCHEMISTRY