Predicting interactions between proteins and other biomolecules solely based on structure
remains a challenge in biology. A high-level representation of protein structure, the molecular …

The optimization of therapeutic antibodies is time-intensive and resource-demanding, largely
because of the low-throughput screening of full-length antibodies (approximately 1 × 10 3 …

Physical interactions between proteins are essential for most biological processes governing
life 1 . However, the molecular determinants of such interactions have been challenging to …

Optimizing amino acid conformation and identity is a central problem in computational protein
design. Protein design algorithms must allow realistic protein flexibility to occur during this …

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 …

Thalidomide and its derivatives are powerful cancer therapeutics that are among the best-understood
molecular glue degraders (MGDs). These drugs selectively reprogram the E3 …

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 …

Computational structure-based protein design programs are becoming an increasingly
important tool in molecular biology. These programs compute protein sequences that are …

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 …

G protein-coupled receptors (GPCRs) convert extracellular stimuli into intracellular signaling
by coupling to heterotrimeric G proteins of four classes: G i/o , G q , G s , and G 12/13 . …