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. 1986 Apr;5(4):819–822. doi: 10.1002/j.1460-2075.1986.tb04287.x

Using known substructures in protein model building and crystallography.

T A Jones, S Thirup
PMCID: PMC1166864  PMID: 3709525

Abstract

Retinol binding protein can be constructed from a small number of large substructures taken from three unrelated proteins. The known structures are treated as a knowledge base from which one extracts information to be used in molecular modelling when lacking true atomic resolution. This includes the interpretation of electron density maps and modelling homologous proteins. Models can be built into maps more accurately and more quickly. This requires the use of a skeleton representation for the electron density which improves the determination of the initial chain tracing. Fragment-matching can be used to bridge gaps for inserted residues when modelling homologous proteins.

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