Functional characterization of a protein is often facilitated by its 3D structure. However, the
fraction of experimentally known 3D models is currently less than 1% due to the inherently …

This review provides an exposition to the important problems of (i) structure prediction in
protein folding and (ii) de novo protein design. The recent advances in protein folding are …

Computational methods for protein structure modelling are routinely used to complement
experimental structure determination, thus they help to address a broad spectrum of …

Comparative protein structure modeling predicts the three‐dimensional structure of a given
protein sequence (target) based primarily on its alignment to one or more proteins of known …

The application of all‐atom force fields (and explicit or implicit solvent models) to protein
homology‐modeling tasks such as side‐chain and loop prediction remains challenging both …

Studies using low-resolution fiber diffraction, electron microscopy, and atomic force
microscopy on various amyloid fibrils indicate that the misfolded conformers must be …

Surprisingly, the frozen structures from ultra-high-resolution protein crystallography reveal a
prevalent, but subtle, mode of local backbone motion coupled to much larger, two-state …

A major limitation of current comparative modeling methods is the accuracy with which
regions that are structurally divergent from homologues of known structure can be modeled …

Proteins are dynamic molecules, exhibiting structural heterogeneity in the form of anisotropic
motion and discrete conformational substates, often of functional importance. In protein …

The Toll/interleukin 1 receptor (TIR) domain is a region found in the cytoplasmic tails of
members of the Toll-like receptor/interleukin-1 receptor superfamily. The domain is essential …