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

The field of computational protein design has produced striking successes, including the
engineering of novel enzymes. Many of these achievements employed methodologies that …

We describe predictions made using the Rosetta structure prediction methodology for the
Eighth Critical Assessment of Techniques for Protein Structure Prediction. Aggressive …

To the Editor: Proteins exploit the conformational variability of loop regions to carry out
diverse biological tasks including molecular recognition and signal transduction. New …

Unlike the secondary structure elements that connect in protein structures, loop fragments in
protein chains are often highly mobile even in generally stable proteins. The structural …

Protein loops play a critical role in the dynamics of proteins and are essential for numerous
biological functions, and various computational approaches to loop modeling have been …

Background Protein structures can be reliably predicted by template-based modeling (TBM)
when experimental structures of homologous proteins are available. However, it is …

Protein loops are often involved in important biological functions such as molecular
recognition, signal transduction, or enzymatic action. The three dimensional structures of …

Natural product and synthetic macrocycles are chemically and topologically diverse. An
efficient, accurate, and general method for generating macrocycle conformations would …

Understanding energy landscapes is a major challenge in chemistry and biology. Although
a wide variety of methods have been invented and applied to this problem, very little is …