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Implications of AlphaFold2 for crystallographic phasing by molecular replacement.

Published version
Peer-reviewed

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Authors

McCoy, Airlie J 

Abstract

The AlphaFold2 results in the 14th edition of Critical Assessment of Structure Prediction (CASP14) showed that accurate (low root-mean-square deviation) in silico models of protein structure domains are on the horizon, whether or not the protein is related to known structures through high-coverage sequence similarity. As highly accurate models become available, generated by harnessing the power of correlated mutations and deep learning, one of the aspects of structural biology to be impacted will be methods of phasing in crystallography. Here, the data from CASP14 are used to explore the prospects for changes in phasing methods, and in particular to explore the prospects for molecular-replacement phasing using in silico models.

Description

Keywords

research papers, protein structure prediction, crystallographic phase problem, molecular replacement, AlphaFold2

Journal Title

Acta Crystallogr D Struct Biol

Conference Name

Journal ISSN

2059-7983
2059-7983

Volume Title

Publisher

International Union of Crystallography (IUCr)
Sponsorship
Wellcome Trust (209407/Z/17/Z)