原始来源

How Open Science Can Help Researchers Prepare for the Next Pandemic

NVIDIA Blog ·

Anthony Costa reports an effort to make predicted viral protein-complex structures openly available to scientists. NVIDIA is also releasing the workflow used to produce them, while the dataset labels predictions by confidence.

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open science infrastructure

Open release of viral protein complex structures

原始摘录

To help improve the odds, NVIDIA has joined a coalition of global research organizations, including Google DeepMind and the European Molecular Biology Laboratory’s European Bioinformatics Institute (EMBL-EBI), to release predicted 3D structures for the protein complexes of more than 2,800 viruses — openly available to any scientist, anywhere, through the AlphaFold Database.

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prediction uncertainty

Protein-complex predictions are labeled by confidence

原始摘录

Predictions in the open dataset are labeled by confidence. The structures show what viral complexes may look like and how individual proteins might interact within a viral proteome.

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developer tooling

Researchers can use the BioNeMo pipeline for their own targets

原始摘录

NVIDIA is also openly releasing the BioNeMo Structure Prediction Pipeline , the GPU-accelerated workflow used to generate the dataset, so researchers can go from protein sequence to predicted 3D structure for their own targets.

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