▪ Abstract The energy landscape theory of protein folding is a statistical description of a
protein's potential surface. It assumes that folding occurs through organizing an ensemble of …

Protein folding should be complex. Proteins organize themselves into specific three-
dimensional structures, through a myriad of conformational changes. The classical view of …

Protein folding and binding are kindred processes. Many proteins in the cell are unfolded, so
folding and function are coupled. This paper investigates how binding kinetics is influenced …

An elementary statistical mechanical model was used to calculate the folding rates for 22
proteins from their known three-dimensional structures. In this model, residues come into …

Protein dynamics take place on many time and length scales. Coarse‐grained structure‐
based \bf(G\overlineo) models utilize the funneled energy landscape theory of protein …

Proteins appear to fold by diverse pathways, but variations of a simple mechanism–
nucleation-condensation–describe the overall features of folding of most domains. In …

Protein folding has been viewed as a difficult problem of molecular self-organization. The
search problem involved in folding however has been simplified through the evolution of …

The need to account for the dynamic behavior of a receptor has long been recognized as a
complicating factor in computational drug design. The use of a single, rigid protein structure …

Biomolecules often undergo large-amplitude motions when they bind or release other
molecules. Unlike macroscopic machines, these biomolecular machines can partially …

Conformational heterogeneity in proteins is known to often be the key to their function. We
present a coarse grained model to explore the interplay between protein structure, folding …