The DOI matches its Crossref record; 566 of the 566 references it cites were found in a registry or an index.
Coarse-Grained Protein Models and Their Applications
Open accessAbstract
The traditional computational modeling of protein structure, dynamics, and interactions remains difficult for many protein systems. It is mostly due to the size of protein conformational spaces and required simulation time scales that are still too large to be studied in atomistic detail. Lowering the level of protein representation from all-atom to coarse-grained opens up new possibilities for studying protein systems. In this review we provide an overview of coarse-grained models focusing on their design, including choices of representation, models of energy functions, sampling of conformational space, and applications in the modeling of protein structure, dynamics, and interactions. A more detailed description is given for applications of coarse-grained models suitable for efficient combinations with all-atom simulations in multiscale modeling strategies.
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Two decades of Martini: Better beads, broader scope
Marrink, S. J., Monticelli, L., Melo, M. N., Alessandri, R., Tieleman, D. P., & Souza, P. C. T. (2023) · WIREs Computational Molecular Science · doi:10.1002/wcms.1620 · Cited by 255
Metadata
- Authors
- Kmiecik, S., Gront, D., Kolinski, M., Wieteska, L., Dawid, A. E., & Kolinski, A.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2016-06-22
- Volume
- 116
- Issue
- 14
- Pages
- 7898-7936
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2413334978
- Cited by
- 1,071
- References
- 566
- FWCI
- 5.82
- Type
- journal article
- Language
- en
- Open access
- hybrid
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