Global environmental issues and sustainable development call for new technologies for fine
chemical synthesis and waste valorization. Biocatalysis has attracted great attention as the …

Compared with rapid accumulation of protein sequences from high-throughput DNA
sequencing, obtaining experimental 3D structures of proteins is still much more difficult …

Three-dimensional structure modeling from maps is an indispensable step for studying
proteins and their complexes with cryogenic electron microscopy. Although the resolution of …

RNA-Puzzles is a collective endeavor dedicated to the advancement and improvement of
RNA three-dimensional structure prediction. With agreement from structural biologists, RNA …

Structural, regulatory and enzymatic proteins interact with DNA to maintain a healthy and
functional genome. Yet, our structural understanding of how proteins interact with DNA is …

BACKGROUND Understanding biology, particularly at the level of actionable drug
discovery, is often a matter of develo** accurate stories about how proteins work. This …

Highlights•Molecular dynamics is reaching longer timescales faster than Moore's law's
rate.•Improved sampling algorithms, force fields and computers drive advances.•At current …

We describe several notable aspects of our structure predictions using Rosetta in CASP12
in the free modeling (FM) and refinement (TR) categories. First, we had previously …

Signalling pathways involving the vital second messanger, cAMP, impact on most significant
physiological processes. Unsurprisingly therefore, the activation and regulation of cAMP …

Protein–protein interactions (PPIs) have emerged as significant targets for therapeutic
development, owing to their critical nature in diverse biological processes. An ideal PPI …