The “protein folding problem” consists of three closely related puzzles:(a) What is the folding
code?(b) What is the folding mechanism?(c) Can we predict the native structure of a protein …

The protein folding problem was first articulated as question of how order arose from
disorder in proteins: How did the various native structures of proteins arise from interatomic …

To understand the structural basis of biology, it is necessary to understand the
transformations of macromolecules during functional cycles. These changes can involve …

How do proteins fold so quickly? Some denatured proteins fold to their native structures in
only microseconds, on average, implying that there is a folding “mechanism,” ie, a particular …

A computational approach is essential whenever the complexity of the process under study
is such that direct theoretical or experimental approaches are not viable. This is the case for …

Protein folding speeds are known to vary over more than eight orders of magnitude. Plaxco,
Simons, and Baker (see References) first showed a correlation of folding speed with the …

Protein folding mechanisms are probed experimentally using single-point mutant
perturbations. The relative effects on the folding (ϕ-values) and unfolding (1-ϕ) rates are …

Accurate ab initio simulation of protein folding is a critical step toward elucidation of protein-
folding mechanisms. Here, we demonstrate highly accurate folding of the 35 residue villin …

Although progress has been made to determine the native fold of a polypeptide from its
primary structure, the diversity of pathways that connect the unfolded and folded states has …

Filamentous type 1 pili are responsible for attachment of uropathogenic Escherichia coli
strains to host cells. They consist of a linear tip fibrillum and a helical rod formed by up to …