Proteins are central to life functions. Alterations in the structure of proteins are reflected in
their function. Misfolded proteins and their aggregates present a significant risk to the cell …

Molecular dynamics (MD) is an invaluable tool with which to study protein folding in silico.
Although just a few years ago the dynamic behavior of a protein molecule could be …

The presence of macromolecules in cells geometrically restricts the available space for
poplypeptide chains. To study the effects of macromolecular crowding on folding …

We combine experiment and computer simulation to show how macromolecular crowding
dramatically affects the structure, function, and folding landscape of phosphoglycerate …

▪ Abstract In order to solve the immensely difficult protein-folding problem, it will be
necessary to characterize the barriers that slow folding and the intermediate structures that …

We use two simple models and the energy landscape perspective to study protein folding
kinetics. A major challenge has been to use the landscape perspective to interpret …

Phase transitions are among the most impressive phenomena occurring in nature. They are
an example of emergent behavior, ie, of collective properties having no direct counterpart in …

Intrinsically disordered proteins (IDPs) are recognized to play important roles in many
biological functions such as transcription and translation regulation, cellular signal …

To investigate the consequences of macromolecular crowding on the behavior of a globular
protein, we performed a combined experimental and computational study on the 148 …

Over the past three decades, a number of powerful simulation algorithms have been
introduced to the protein folding problem. For many years, the emphasis has been placed on …