/Computational-design-of-protein-nanomachines

Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational mechanics in de novo protein assemblies"

Primary LanguageScala

Computational design of protein nanomachines

Code and software used to design de novo protein nanomachines. Supplementary material for "Computational design of nanoscale rotational mechanics in de novo protein assemblies"

Computationally designed self-assembling and genetically encodable protein rotary machines sample internal degrees of freedom sculpted within the energy landscape.

energy_landscapes

Energy_landscapes ipython notebooks detailing the navigation of energy landscapes

python_scripts

Python scripts used for the design and manipulation of protein machine components

Rosetta_scripts_xmls

Rosettascripts XMLs for production jobs