The DOI matches its Crossref record; 103 of the 103 references it cites were found in a registry or an index.
Biomolecular Simulation: A Computational Microscope for Molecular Biology
Abstract
Molecular dynamics simulations capture the behavior of biological macromolecules in full atomic detail, but their computational demands, combined with the challenge of appropriately modeling the relevant physics, have historically restricted their length and accuracy. Dramatic recent improvements in achievable simulation speed and the underlying physical models have enabled atomic-level simulations on timescales as long as milliseconds that capture key biochemical processes such as protein folding, drug binding, membrane transport, and the conformational changes critical to protein function. Such simulation may serve as a computational microscope, revealing biomolecular mechanisms at spatial and temporal scales that are difficult to observe experimentally. We describe the rapidly evolving state of the art for atomic-level biomolecular simulation, illustrate the types of biological discoveries that can now be made through simulation, and discuss challenges motivating continued innovation in this field.
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Cites
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Self-citation
Cited by
The mystery of membrane organization: composition, regulation and roles of lipid rafts
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Lipid Organization of the Plasma Membrane
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GPCR Dynamics: Structures in Motion
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Self-citationThe power of coarse graining in biomolecular simulations
Ingólfsson, H. I., Lopez, C. A., Uusitalo, J. J., de Jong, D. H., Gopal, S. M., Periole, X., & Marrink, S. J. (2014) · WIREs Computational Molecular Science · doi:10.1002/wcms.1169 · Cited by 572
Metadata
- Authors
- Dror, R. O., Dirks, R. M., Grossman, J. P., Xu, H., & Shaw, D. E.
- Venue
- Annual Review of Biophysics
- Publisher
- Annual Reviews
- Published
- 2012-06-09
- Volume
- 41
- Issue
- 1
- Pages
- 429-452
- ISSN
- 1936-122X (ISSN-L)
- 1936-1238
- OpenAlex
- W2121400889
- Cited by
- 1,198
- References
- 103
- FWCI
- 4.90
- Type
- journal article
- Language
- en
- Open access
- closed
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- Dror, R. O., Dirks, R. M., Grossman, J. P., Xu, H., & Shaw, D. E. (2012). Biomolecular Simulation: A Computational Microscope for Molecular Biology. Annual Review of Biophysics. https://doi.org/10.1146/annurev-biophys-042910-155245
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