We investigated T-cell receptor variable β chains binding to the superantigen staphylococcal
enterotoxin C3 (SEC 3) with structure information in different stages of affinity maturation …

During the affinity maturation process the immune system produces antibodies with higher
specificity and activity through various rounds of somatic hypermutations in response to an …

We present an approach to assess antibody CDR-H3 loops according to their dynamic
properties using molecular dynamics simulations. We selected six antibodies in three pairs …

The conformational dynamism of proteins is well established. Rather than having a single
structure, proteins are more accurately described as a conformational ensemble that exists …

Peptide TT830‐843 from the tetanus toxin is a universal T‐cell epitope. It helps in
vaccination and induces T‐cell activation. However, the fine molecular interaction between …

The interplay between T cell receptors (TCRs) and peptides bound by major
histocompatibility complexes (MHCs) is one of the most important interactions in the …

When two proteins associate they form a molecular interface that is a structural and
energetic mosaic. Within such interfaces, individual amino acid residues contribute distinct …

αβ T-cell receptors (TCRs) recognize multiple antigenic peptides bound and presented by
major histocompatibility complex molecules. TCR cross-reactivity has been attributed in part …

One nanosecond molecular dynamic (MD) simulation of anti-hen egg white lysozyme (HEL)
antibody HyHEL63 (HH63) complexed with HEL reveals rigid and flexible regions of the …

Domains are the building blocks of proteins and play a crucial role in protein–protein
interactions. Here, we propose a new approach for the analysis and prediction of domain …