The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Representing Structures of the Multiple Conformational States of Proteins
Open accessPreprint — published as 10.1016/j.sbi.2023.102703 · Paper page
Abstract
Biomolecules exhibit dynamic behavior that single-state models of their structures cannot fully capture. We review some recent advances for investigating multiple conformations of biomolecules, including experimental methods, molecular dynamics simulations, and machine learning. We also address the challenges associated with representing single- and multiple-state models in data archives, with a particular focus on NMR structures. Establishing standardized representations and annotations will facilitate effective communication and understanding of these complex models to the broader scientific community.
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Citations
Cites
Highly accurate protein structure prediction with AlphaFold
Jumper, J., Evans, R., Pritzel, A., Green, T., Figurnov, M., Ronneberger, O., Tunyasuvunakool, K., Bates, R., Žídek, A., Potapenko, A., et al. (2021) · Nature · doi:10.1038/s41586-021-03819-2 · Cited by 43,764
Sampling alternative conformational states of transporters and receptors with AlphaFold2
del Alamo, D., Sala, D., Mchaourab, H. S., & Meiler, J. (2022) · eLife · doi:10.7554/elife.75751 · Cited by 511
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Metadata
- Authors
- Ramelot, T., Tejero, R., & Montelione, G.
- Affiliations
- Rensselaer Polytechnic Institute (US)
- Corresponding author
- Ramelot, Theresa
- Montelione, Gaetano
- Venue
- Current Opinion in Structural Biology
- Publisher
- American Chemical Society (ACS)
- Published
- 2023-07-31
- Volume
- 83
- Pages
- 102703-102703
- ISSN
- 0959-440X (ISSN-L)
- PMC
- PMC10841472
- OpenAlex
- W4387128962
- Cited by
- 25
- References
- 2
- Citations by year
- 2026: 5 · 2025: 9 · 2024: 10 · 2023: 1
- FWCI
- 0.66
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- Current Opinion in Structural Biology (publishedVersion, cc-by-nc-nd)
- ChemRxiv (acceptedVersion, cc-by)
- PubMed (publishedVersion)
- PubMed Central (acceptedVersion)
- Funders
- National Institutes of Health
- National Institute of General Medical Sciences (R35GM141818)
- Topics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Structural Biology › Enzyme Structure and Function
- Physical Sciences › Chemistry › Spectroscopy › Advanced NMR Techniques and Applications
- Keywords
- protein conformational ensembles, biomolecular dynamics, NMR structure, molecular dynamics simulation, machine learning, data archiving, structural annotation
- MeSH terms
- Molecular Conformation, Magnetic Resonance Spectroscopy, Protein Conformation, Proteins, Molecular Dynamics Simulation
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