Improving Geometric Validation Metrics and Ensuring Consistency with Experimental Data through TrioSA: An NMR Refinement Protocol

Improving Geometric Validation Metrics and Ensuring Consistency with Experimental Data through TrioSA: An NMR Refinement Protocol

Protein model refinement a the crucial step in improving the quality of a predicted protein model. This study presents an NMR refinement protocol called TrioSA (torsion-angle and implicit-solvation-optimized simulated annealing) that improves the accuracy of backbone/side-chain conformations and the...

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Bibliographic Details
Main Authors: Youngbeom Cho, Hyojung Ryu, Gyutae Lim, Seungyoon Nam, Jinhyuk Lee
Format: Article
Language:English
Published: MDPI AG 2023-08-01
Series:International Journal of Molecular Sciences
Subjects:
protein structure refinement
validation assessment
NMR refinement protocol
torsion angle potential
Online Access:https://www.mdpi.com/1422-0067/24/17/13337

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https://www.mdpi.com/1422-0067/24/17/13337

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