Improved protein structure prediction using predicted interresidue orientations

Jianyi Yang, Ivan Anishchenko, Hahnbeom Park et al.

2020 · Proceedings of the National Academy of Sciences · 1,554 citations

The prediction of interresidue contacts and distances from coevolutionary data using deep learning has considerably advanced protein structure prediction. Here, we build on these advances by developing a deep residual network for predicting interresidue orientations, in addition to distances, and a Rosetta-constrained energy-minimization protocol for rapidly and accurately generating structure models guided by these restraints. In benchmark tests on 13th Community-Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP13)- and Continuous Automated Model…

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