Proteins are nature's primary building blocks for the construction of sophisticated molecular
machines and dynamic materials, ranging from protein complexes such as photosystem II …

Directed evolution has proved to be an effective strategy for improving or altering the activity
of biomolecules for industrial, research and therapeutic applications. The evolution of …

Background Ligand binding site prediction from protein structure has many applications
related to elucidation of protein function and structure based drug discovery. It often …

The self-assembly of proteins into highly ordered nanoscale architectures is a hallmark of
biological systems. The sophisticated functions of these molecular machines have inspired …

We describe a general computational method for designing proteins that self-assemble to a
desired symmetric architecture. Protein building blocks are docked together symmetrically to …

Interactions between proteins are orchestrated in a precise and time-dependent manner,
underlying cellular function. The binding affinity, defined as the strength of these …

Recent developments in computational chemistry and biology have come together in the
“inside‐out” approach to enzyme engineering. Proteins have been designed to catalyze …

Evolution occurs when selective pressures from the environment shape inherited variation
over time. Within the laboratory, evolution is commonly used to engineer proteins and RNA …

We describe a general computational method for designing proteins that bind a surface
patch of interest on a target macromolecule. Favorable interactions between disembodied …

In nature, structural specificity in DNA and proteins is encoded differently: In DNA, specificity
arises from modular hydrogen bonds in the core of the double helix, whereas in proteins …