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Improved protein structure prediction using potentials from deep learning

A. Senior,Richard Evans,16 Authors,D. Hassabis

2020 · DOI: 10.1038/s41586-019-1923-7
Nature · 2,917 Citations

TLDR

It is shown that a neural network can be trained to make accurate predictions of the distances between pairs of residues, which convey more information about the structure than contact predictions, and the resulting potential can be optimized by a simple gradient descent algorithm to generate structures without complex sampling procedures.