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Enhancing coevolution-based contact prediction by imposing structural self-consistency of the contacts

Kassem, Maher M. ; Christoffersen, Lars B. ; Cavalli, Andrea ; Lindorff-Larsen, Kresten

In: Scientific reports, 2018, vol. 8, no. 1, p. 11112

Based on the development of new algorithms and growth of sequence databases, it has recently become possible to build robust higher-order sequence models based on sets of aligned protein sequences. Such models have proven useful in de novo structure prediction, where the sequence models are used to find pairs of residues that co-vary during evolution, and hence are likely to be in spatial...