AI3SD Video: How good are protein structure prediction methods at predicting folding pathways?

Carlos Outeiral Rubiera
Deep learning has achieved unprecedented success in predicting a proteinâs crystal structure, but whether this achievement relates to a better modelling of the folding process is an open question. In this work, we compare the dynamic pathways from six state-of-the-art protein structure prediction methods to experimental folding data. We find evidence of a weak correlation between simulated dynamics and formal kinetics; however, many of the structures of the predicted intermediates are incompatible with available hydrogen-deuterium...
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