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Supercomputer draws molecular blueprint for repairing damaged DNA

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Summary
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89% Informative

Georgia State University has built a computer model of a critical NER component called the pre-incision complex.

NER relies on an array of highly dynamic protein complexes to cut out (excise) damaged DNA with surgical precision.

Decoding NER 's sequence of events and the role of PInC in the pathway could provide key insights into developing novel treatments.

Many of the PInC components had no known experimental structures.

Researchers used a neural network-based model called AlphaFold2 to predict the unknown structures.

The findings are significant in that mutations in XPF and XPG can lead to severe human genetic disorders.

Most of the molecular dynamics simulations were performed on Summit , which was retired at the end of 2024 .

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English

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