The DOI matches its Crossref record; 20 of the 20 references it cites were found in a registry or an index.
Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems
Abstract
Relentless increases in the size and performance of multiprocessor computers, coupled with new algorithms and methods, have led to novel applications of simulations across chemistry. This Perspective focuses on the use of classical molecular dynamics and so-called coarse-grain models to explore phenomena involving self-assembly in complex fluids and biological systems.
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Citations
Cites
Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method
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The MARTINI Coarse-Grained Force Field: Extension to Proteins
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BAR Domains as Sensors of Membrane Curvature: The Amphiphysin BAR Structure
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General purpose molecular dynamics simulations fully implemented on graphics processing units
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Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene
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A Coarse Grain Model for Phospholipid Simulations
Shelley, J. C., Shelley, M. Y., Reeder, R. C., Bandyopadhyay, S., & Klein, M. L. (2001) · The Journal of Physical Chemistry B · doi:10.1021/jp010238p · Cited by 509
Self-citationMulti-property fitting and parameterization of a coarse grained model for aqueous surfactants
Shinoda, W., DeVane, R., & Klein, M. L. (2007) · Molecular Simulation · doi:10.1080/08927020601054050 · Cited by 477
Self-citationMolecular Dynamics Simulations of the Complete Satellite Tobacco Mosaic Virus
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Structure of the parainfluenza virus 5 F protein in its metastable, prefusion conformation
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Computer simulations of a water/oil interface in the presence of micelles
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Cited by
Thompson, A. P., Aktulga, H. M., Berger, R., Bolintineanu, D. S., Brown, W. M., Crozier, P. S., in 't Veld, P. J., Kohlmeyer, A., Moore, S. G., Nguyen, T. D., et al. (2022) · Computer Physics Communications · doi:10.1016/j.cpc.2021.108171 · Cited by 12,598
‘Improved parameters for the Martini coarse-grained protein force field’
de Jong, D. H., Singh, G., Bennett, W. F. D., Arnarez, C., Wassenaar, T. A., Schäfer, L. V., Periole, X., Tieleman, D. P., & Marrink, S. J. (2013) · Journal of Chemical Theory and Computation · doi:10.1021/ct300646g · Cited by 1,486
Perspective: Coarse-grained models for biomolecular systems
Noid, W. G. (2013) · The Journal of Chemical Physics · doi:10.1063/1.4818908 · Cited by 893
Self-Assembly of Janus Dendrimers into Uniform Dendrimersomes and Other Complex Architectures
Percec, V., Wilson, D. A., Leowanawat, P., Wilson, C. J., Hughes, A. D., Kaucher, M. S., Hammer, D. A., Levine, D. H., Kim, A. J., Bates, F. S., et al. (2010) · Science · doi:10.1126/science.1185547 · Cited by 732
Self-citationStructural Analysis of Molecular Materials Using the Pair Distribution Function
Terban, M. W., & Billinge, S. J. L. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00237 · Cited by 426
Metadata
- Authors
- Klein, M. L., & Shinoda, W.
- Venue
- Science
- Published
- 2008-08-08
- Volume
- 321
- Issue
- 5890
- Pages
- 798-800
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W1981436290
- Cited by
- 416
- References
- 20
- FWCI
- 19.90
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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