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Status: Unchecked ×Keyword: protein conformational heterogeneity ×Clear all

1 claim from 1 paper

1. Biochemistry, Genetics and Molecular Biology › Protein Structure and Dynamics

   SPEACH_AF: Sampling protein ensembles and conformational heterogeneity with Alphafold2

   Stein and Mchaourab · PLoS Computational Biology · 2022

   The authors present a way to steer AlphaFold2 towards alternate protein conformations by editing the multiple sequence alignment with in silico mutagenesis, tested on known examples and membrane proteins.

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   1. UncheckedThe paper hypothesises that a multiple sequence alignment also encodes protein shape variability, so altering it could make AlphaFold2 predict alternate conformations.“The approach is grounded in the hypothesis that the multiple sequence alignment must also encode for protein structural heterogeneity, thus its rational manipulation will enable Alphafold2 to sample alternate conformations.”