2023
DOI: 10.1002/pro.4822
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PTM‐Psi: A python package to facilitate the computational investigation of post‐translational modification on protein structures and their impacts on dynamics and functions

Daniel Mejia‐Rodriguez,
Hoshin Kim,
Natalie Sadler
et al.

Abstract: Post‐translational modification (PTM) of a protein occurs after it has been synthesized from its genetic template, and involves chemical modifications of the protein's specific amino acid residues. Despite of the central role played by PTM in regulating molecular interactions, particularly those driven by reversible redox reactions, it remains challenging to interpret PTMs in terms of protein dynamics and function because there are numerous combinatorially enormous means for modifying amino acids in response t… Show more

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Cited by 3 publications
(2 citation statements)
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References 96 publications
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“…One of the authors recently developed a Python-based workflow, PTM-Ps i (A Python Package to Facilitate the Computational Investigation of P ost- T ranslational M odification on P rotein S tructures and Their I mpacts on Dynamics and Functions), that allows users to interpret how chemical perturbations caused by PTMs, particularly thiol PTMs, affect a protein’s properties, dynamics, and interactions with its binding partners, leveraging either inferred or experimentally determined protein structures. They demonstrated the utility of PTM-Psi for interpreting sequence-structure–function relationships of a cysteine-rich protein derived from thiol redox proteomics data …”
Section: Discussionmentioning
confidence: 99%
“…One of the authors recently developed a Python-based workflow, PTM-Ps i (A Python Package to Facilitate the Computational Investigation of P ost- T ranslational M odification on P rotein S tructures and Their I mpacts on Dynamics and Functions), that allows users to interpret how chemical perturbations caused by PTMs, particularly thiol PTMs, affect a protein’s properties, dynamics, and interactions with its binding partners, leveraging either inferred or experimentally determined protein structures. They demonstrated the utility of PTM-Psi for interpreting sequence-structure–function relationships of a cysteine-rich protein derived from thiol redox proteomics data …”
Section: Discussionmentioning
confidence: 99%
“…They demonstrated the utility of PTM-Psi for interpreting sequence-structure-function relationships of a cysteine-rich protein derived from thiol redox proteomics data. 41 Here, cofilin oligomerization involves thiol PTMs of cysteines to form intermolecular disulfide bonds under oxidation stress. Our cofilin dimer models enable us to explore these possibilities based on cofilin's distinct binding interfaces.…”
Section: Post-translational Modificationsmentioning
confidence: 99%