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Article

High-Accuracy Prediction of Stabilizing Surface Mutations to the Three-Helix Bundle, UBA(1), with EmCAST.

Journal of the American Chemical Society - 25 Oct 2023

Rothfuss Michael T, Becht Dustin C, Zeng Baisen, McClelland Levi J, Yates-Hansen Cindee, Bowler Bruce E

Abstract excerpt

The accurate modeling of energetic contributions to protein structure is a fundamental challenge in computational approaches to protein analysis and design. We describe a general computational method, EmCAST (empirical Cα stabilization), to score and optimize the sequence to the structure in proteins. The method relies on an empirical potential derived from the database of the Cα dihedral angle preferences for...

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PMID: 37815921
DOI: 10.1021/jacs.3c04966
PMCID: PMC10626973

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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