Water solubility and structural stability are key merits for proteins defined by the primary
sequence and 3D-conformation. Their manipulation represents important aspects of the …

The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …

Over the past decade, the Rosetta biomolecular modeling suite has informed diverse
biological questions and engineering challenges ranging from interpretation of low …

The σ2 receptor has attracted intense interest in cancer imaging, psychiatric disease,
neuropathic pain,–and other areas of biology,. Here we determined the crystal structure of …

The traditional computational modeling of protein structure, dynamics, and interactions
remains difficult for many protein systems. It is mostly due to the size of protein …

It is unclear how binding of antidepressant drugs to their targets gives rise to the clinical
antidepressant effect. We discovered that the transmembrane domain of tyrosine kinase …

The computational de novo protein design is increasingly applied to address a number of
key challenges in biomedicine and biological engineering. Successes in expanding …

In response to different types and intensities of mechanical force, cells modulate their
physical properties and adapt their plasma membrane (PM). Caveolae are PM nano …

Glutamate has dual roles in metabolism and signaling; thus, signaling functions must be
isolatable and distinct from metabolic fluctuations, as seen in low-glutamate domains at …

The computational design of transmembrane proteins with more than one membrane-
spanning region remains a major challenge. We report the design of transmembrane …