ArticleACS omega2024
IDRWalker: A Random Walk Based Tool for Generating Intrinsically Disordered Regions in Large Protein Complexes.
Article in ACS omega, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Structural basis of CAX1 autoinhibition by its amino-terminal domain in Arabidopsis thaliana.Nature plants · 2025Article
- Investigations on genomic, topological and structural properties of diguanylate cyclases involved inCurrent research in structural biology · 2025Article
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Authors and funding
2 authors.
Funding
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Abstract
Intrinsically disordered regions (IDRs), which may be functionally important, are common in proteins. However, the structures of IDRs are often missing due to their highly dynamic nature. In the study of IDRs, integrative modeling combining computational simulations and experimental data is a common approach, for which initial structures of the IDRs need to be built. However, applying this method to large protein complexes is challenging because existing structure generation tools are sometimes unsuitable for IDRs in large systems. To facilitate convenient and rapid structure generation of IDRs in large protein complexes, we developed a computational tool named IDRWalker based on self-avoiding random walks. Three protein complexes were used to illustrate the efficiency of the tool, and it was found that IDRs in more than 800 chains of the nuclear pore complex could be generated in minutes. These structures of large protein complexes with added IDRs can be further used to run computational simulations for integrative modeling.
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Registered trials
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