Bioinformatics tools and benchmarks for computational docking and 3D structure prediction of RNA-protein complexes
Open accessAbstract
RNA-protein (RNP) interactions play essential roles in many biological processes, such as regulation of co-transcriptional and post-transcriptional gene expression, RNA splicing, transport, storage and stabilization, as well as protein synthesis. An increasing number of RNP structures would aid in a better understanding of these processes. However, due to the technical difficulties associated with experimental determination of macromolecular structures by high-resolution methods, studies on RNP recognition and complex formation present significant challenges. As an alternative, computational prediction of RNP interactions can be carried out. Structural models obtained by theoretical predictive methods are, in general, less reliable compared to models based on experimental measurements but they can be sufficiently accurate to be used as a basis for to formulating functional hypotheses. In this article, we present an overview of computational methods for 3D structure prediction of RNP complexes. We discuss currently available methods for macromolecular docking and for scoring 3D structural models of RNP complexes in particular. Additionally, we also review benchmarks that have been developed to assess the accuracy of these methods.
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Other types of molecules interacting with proteins, as well as protein-protein interactions in membranes, have been studied extensively through the years.
“While other types of molecules interacting with proteins, as well as protein-protein interactions in membranes, have been studied extensively through the years [14–18]”
From Challenges in protein docking (2020) · cites this paper as [14]
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- Authors
- Nithin, C., Ghosh, P., & Bujnicki, J. M.
- Affiliations
- International Institute of Molecular and Cell Biology (PL)
- Corresponding author
- Bujnicki, Janusz M.
- Venue
- Genes
- Publisher
- MDPI AG
- Published
- 2018-08-25
- Volume
- 9
- Issue
- 9
- Pages
- 432
- ISSN
- 2073-4425 (ISSN-L)
- PMC
- PMC6162694
- OpenAlex
- W2888311493
- Cited by
- 48
- References
- 143
- Citations by year
- 2026: 1 · 2025: 7 · 2024: 8 · 2023: 4 · 2022: 6 · 2021: 7 · 2020: 6 · 2019: 8 · 2018: 1
- FWCI
- 0.54
- Type
- journal article
- Language
- en
- Open access
- gold
- dx.doi.org
- Licence
- Locations
- Genes (publishedVersion, cc-by)
- Europe PMC (PubMed Central) (publishedVersion, other-oa)
- PubMed Central (publishedVersion, cc-by)
- PubMed (publishedVersion)
- DOAJ (DOAJ: Directory of Open Access Journals) (submittedVersion, cc-by-sa)
- Funders
- Fundacja na rzecz Nauki Polskiej (TEAM/2009-4/2, TEAM/2016-3/18)
- FP7 Ideas: European Research Council (RNA+P=123D)
- Narodowe Centrum Nauki (2017/26/A/NZ1/01083)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › RNA and protein synthesis mechanisms
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Keywords
- RNA-protein interactions, protein-RNA complex, 3D structure prediction, docking scoring functions, benchmarking, post-transcriptional regulation
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