The prediction of protein three-dimensional structure from amino acid sequence has been a
grand challenge problem in computational biophysics for decades, owing to its intrinsic …

Computer-aided drug design (CADD) is an emerging field that has drawn a lot of interest
because of its potential to expedite and lower the cost of the drug development process …

AlphaFold 2 (AF2) was the star of CASP14, the last biannual structure prediction experiment.
Using novel deep learning, AF2 predicted the structures of many difficult protein targets at or …

Proteins are the molecular machinery of the human body, and their malfunctioning is often
responsible for diseases, making them crucial targets for drug discovery. The three …

Over the past decade, the Rosetta biomolecular modeling suite has informed diverse
biological questions and engineering challenges ranging from interpretation of low …

The process for drug discovery and development is challenging, time consuming and
expensive. Computer-aided drug discovery (CADD) tools can act as a virtual shortcut …

Subcellular membraneless assemblies are a reinvigorated area of study in biology, with
spirited scientific discussions on the forces between the low-complexity protein domains …

Protein design has come of age, but how will it mature? In the 1980s and the 1990s, the
primary motivation for de novo protein design was to test our understanding of the …

Since Anfinsen demonstrated that the information encoded in a protein's amino acid
sequence determines its structure in 1973, solving the protein structure prediction problem …

We report the results of two fully automated structure prediction pipelines,“Zhang‐Server”
and “QUARK”, in CASP13. The pipelines were built upon the C‐I‐TASSER and C‐QUARK …