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Generalized biomolecular modeling and design with RoseTTAFold All-Atom

863
Citations
April 19, 2024
Published Date

Research Abstract & Technology Focus

Deep-learning methods have revolutionized protein structure prediction and design but are presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which combines a residue-based representation of amino acids and DNA bases with an atomic representation of all other groups to model assemblies that contain proteins, nucleic acids, small molecules, metals, and covalent modifications, given their sequences and chemical structures. By fine-tuning on denoising tasks, we developed RFdiffusion All-Atom (RFdiffusionAA), which builds protein structures around small molecules. Starting from random distributions of amino acid residues surrounding target small molecules, we designed and experimentally validated, through crystallography and binding measurements, proteins that bind the cardiac disease therapeutic digoxigenin, the enzymatic cofactor heme, and the light-harvesting molecule bilin.
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Generalized biomolecular modeling and design with RoseTTAFold All-Atom

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What is the core focus of the research titled 'Generalized biomolecular modeling and design with RoseTTAFold All-Atom'?

This literature focuses on: Deep-learning methods have revolutionized protein structure prediction and design but are presently limited to protein-only systems. We describe RoseTTAFold All-Atom (RFAA), which combines a residue-based representation of amino acids and DNA base...

Are there open-source GitHub repositories related to Generalized biomolecular modeling and design with RoseTTAFold All-Atom?

Yes, open-source projects like nv-tlabs/Gamma-World (Implementation of Gamma-World: Generative Multi-Agent World Modeling Beyond Two Players) are actively building upon these concepts.

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Products like FreeCAD 1.1 are bringing this to market. Their focus is: Extremely powerful, completely free 3D CAD modeling.

What other academic literature is closely related to 'Generalized biomolecular modeling and design with RoseTTAFold All-Atom'?

Yes, highly correlated activity was mapped. An entry titled 'Generalized biomolecular modeling and design with RoseTTAFold All-Atom' discusses this: Deep-learning methods have revolutionized protein structure prediction and design but are presently limited to protein-only systems. We describe Ro...

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Commercial Realization

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  • GitHub
    nv-tlabs/Gamma-World
    Implementation of Gamma-World: Generative Multi-Agent World Modelin...
  • Product Hunt
    FreeCAD 1.1
    Extremely powerful, completely free 3D CAD modeling

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