Investigation of macromolecular structure and dynamics is fundamental to understanding
how macromolecules carry out their functions in the cell. Significant advances have been …

Self-assembly is one of the most important concepts of the 21st century. Strikingly, despite
the rational design of molecules for biological and pharmaceutical applications is rather well …

Approaches to increase the activity of chimeric antigen receptor (CAR)-T cells against solid
tumors may also increase the risk of toxicity and other side effects. To improve the safety of …

Motivation The accuracy and success rate of de novo protein design remain limited, mainly
due to the parameter over-fitting of current energy functions and their inability to discriminate …

We have developed a suite of protein redesign algorithms that improves realistic in silico
modeling of proteins. These algorithms are based on three characteristics that make them …

The cystic fibrosis transmembrane conductance regulator (CFTR) is an epithelial chloride
channel mutated in patients with cystic fibrosis (CF). The most prevalent CFTR mutation …

We present osprey 3.0, a new and greatly improved release of the osprey protein design
software. Osprey 3.0 features a convenient new Python interface, which greatly improves its …

Here we describe the updated MolProbity rotamer‐library distributions derived from an order‐
of‐magnitude larger and more stringently quality‐filtered dataset of about 8000 (vs. 500) …

Proteins are chains of simple molecules called amino acids. The three-dimensional shape of
a protein and its amino acid composition define its biological function. Over millions of years …

Broadly neutralizing antibodies (bNAbs) against HIV can reduce viral transmission in
humans, but an effective therapeutic will require unusually high breadth and potency of …