Fully understanding biomolecular function requires detailed insight into the systems'
structural dynamics. Powerful experimental techniques such as single molecule Förster …

The fundamental aim of structural analyses in biophysics is to reveal a mutual relation
between a molecule's dynamic structure and its physiological function. Small-angle X-ray …

Recent experiments suggest that an amino acid sequence encodes not only the native fold
of a protein but also other forms that are essential for its function or are important during …

DNA-binding response regulators (DBRRs) are a broad class of proteins that operate in
tandem with their partner kinase proteins to form two-component signal transduction …

Bacterial virulence is typically initiated by translocation of effector or toxic proteins across
host cell membranes. A class of gram-negative pathogenic bacteria including Yersinia …

The full characterization of protein folding is a remarkable long-standing challenge both for
experiment and simulation. Working towards a complete understanding of this process, one …

Structural analyses in biophysics aim at revealing a relationship between a molecule's
dynamic structure and its physiological function. Förster resonance energy transfer (FRET) …

Background Molecular dynamics (MD) simulations provide valuable insight into
biomolecular systems at the atomic level. Notwithstanding the ever-increasing power of high …

The SARS-CoV-2 main protease (Mpro) plays an essential role in viral replication, cleaving
viral polyproteins into functional proteins. This makes Mpro an important drug target. Mpro …

Genetic variations in Cytochrome P450 (CYP) enzymes shape drug responses. However,
many CYP haplotypes (star alleles) lack functional annotations, posing a barrier to under …