Most proteins in cells are composed of multiple folding units (or domains) to perform
complex functions in a cooperative manner. Relative to the rapid progress in single-domain …

Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

Three billion years of evolution has produced a tremendous diversity of protein molecules,
but the full potential of proteins is likely to be much greater. Accessing this potential has …

Protein structure prediction can be used to determine the three-dimensional shape of a
protein from its amino acid sequence. This problem is of fundamental importance as the …

The problem of predicting a protein's 3D structure from its primary amino acid sequence is a
longstanding challenge in structural biology. Recently, approaches like alphafold have …

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 …

The computational de novo protein design is increasingly applied to address a number of
key challenges in biomedicine and biological engineering. Successes in expanding …

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

The protein design problem is to identify an amino acid sequence that folds to a desired
structure. Given Anfinsen's thermodynamic hypothesis of folding, this can be recast as …