The use of monoclonal antibodies as therapeutics requires optimizing several of their key
attributes. These include binding affinity and specificity, folding stability, solubility …

Understanding the function of biological macromolecules and their complexes at the
physicochemical level requires knowledge of both their structure and dynamics …

Many SARS-CoV-2 variants with naturally acquired mutations have emerged. These
mutations can affect viral properties such as infectivity and immune resistance. Although the …

SARS-CoV-2 variants of interest and concern will continue to emerge for the duration of the
COVID-19 pandemic. To map mutations in the receptor-binding domain (RBD) of the spike …

FoldX is an empirical force field that was developed for the rapid evaluation of the effect of
mutations on the stability, folding and dynamics of proteins and nucleic acids. The core …

Absolute binding free energy calculations and free energy decompositions are presented for
the protein–protein complexes H-Ras/C-Raf1 and H-Ras/RalGDS. Ras is a central switch in …

SARS-CoV-2 is continually evolving, with more contagious mutations spreading rapidly.
Using in vitro evolution to affinity maturate the receptor-binding domain (RBD) of the spike …

The interactions of proteins and polyelectrolytes lead to diverse applications in separations,
delivery and wound repair, and are thus of interest to scientists in eg (a) glycobiology,(b) …

The structure of a protein complex together with information about its affinity and other
thermodynamic characteristics provide a “frozen” view of the complex. This picture ignores …

The field of polyelectrolye–protein complexes is now benefiting from the convergence of
three themes whose disciplinary distinctions formerly produced fragmentation. Theory and …