Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock.

William Sheffler, Erin C Yang, Quinton Dowling, Yang Hsia, Chelsea N Fries, Jenna Stanislaw, Mark D Langowski, Marisa Brandys, Zhe Li, Rebecca Skotheim, Andrew J Borst, Alena Khmelinskaia, Neil P King, David Baker

May 2023 PLoS Comput Biol

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Sequence-Independent Protein Docking for Nanomaterials Design Using RPXDock

Sequence-Independent Protein Docking for Nanomaterials Design Using RPXDock

RPXDock is a fast, flexible software for sequence-independent protein docking, enabling the creation of multi-subunit nanomaterials with various symmetric structures. It employs hierarchical search and residue-pair scoring to optimize docking configurations.

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October 2, 2023

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Abstract Synopsis

  • RPXDock is a fast, flexible, and customizable software tool designed for sequence-independent protein docking, specifically for creating multi-subunit nanomaterial assemblies with various symmetric structures.
  • It uses a hierarchical search method and residue-pair scoring to quickly explore possible docking configurations across different architectures, making it suitable for designing new materials like vaccines.
  • The software offers multiple scoring and filtering options, along with practical guidelines for users to optimize and refine their docking results for specific applications.]