Calcium (Ca2+) ion is a critical ubiquitous intracellular second messenger, acting as a lead
currency for several distinct signal transduction pathways. Transient perturbations in free …

Pyroptosis, a recently identified type of cell death, and apoptosis are fundamental and
complex biological processes that underlie a multitude of diseases. However, the crosstalk …

The cardiac sarcomere is a cellular structure in the heart that enables muscle cells to
contract. Dozens of proteins belong to the cardiac sarcomere, which work in tandem to …

Incorporating the dynamic nature of biomolecules in the modeling of their complexes is a
challenge, especially when the extent and direction of the conformational changes taking …

The molecular mechanisms and forces involved in the translocation of bacterial toxins into
host cells are still a matter of intense research. The adenylate cyclase (CyaA) toxin from …

Many proteins consist of folded domains connected by regions with higher flexibility. The
details of the resulting conformational ensemble play a central role in controlling interactions …

Once translocated into the cytosol of target cells, the catalytic domain (AC) of the adenylate
cyclase toxin (CyaA), a major virulence factor of Bordetella pertussis, is potently activated by …

Choline chloride (ChCl) is a component of several deep eutectic solvents (DESs) having
numerous applications. Recent studies have reported manifold promising use of aqueous …

Intrinsically disordered proteins (IDPs) and intrinsically disordered regions (IDRs) are
abundant in all species. They play critical roles in many cellular processes, including …

Conformational transitions in proteins facilitate precise physiological functions. Therefore, it
is crucial to understand the mechanisms underlying these processes to modulate protein …