The comparison of the three-dimensional shapes of protein molecules poses a complex
algorithmic problem. Its solution provides biologists with computational tools to organize the …

Examination of a protein's structural 'neighbors' can reveal distant evolutionary relationships
that are otherwise undetectable, and perhaps suggest unsuspected functional properties. In …

DALI is a popular resource for comparing protein structures. The software is based on
distance‐matrix alignment. The associated web server provides tools to navigate, integrate …

Background: Protein evolution gives rise to families of structurally related proteins, within
which sequence identities can be extremely low. As a result, structure-based classifications …

To study gene evolution across a wide range of organisms, biologists need accurate tools
for multiple sequence alignment of protein families. Obtaining accurate alignments …

Botulinum neurotoxin type A (BoNT/A) is the potent disease agent in botulism, a potential
biological weapon and an effective therapeutic drug for involuntary muscle disorders. The …

Chemoinformatics draws upon techniques from many disciplines including computer
science, mathematics, computational chemistry and data visualisation to tackle these …

The growing interest for comparing protein internal dynamics owes much to the realisation
that protein function can be accompanied or assisted by structural fluctuations and …

The Smad family of proteins, which are frequently targeted by tumorigenic mutations in
cancer, mediate TGF-β signaling from cell membrane to nucleus. The crystal structure of a …

The nuclear factor CREB activates transcription of target genes in part through direct
interactions with the KIX domain of the coactivator CBP in a phosphorylation-dependent …