The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Molecular dynamics simulations of membrane channels and transporters
Open accessAbstract
Membrane transport constitutes one of the most fundamental processes in all living cells with proteins as major players. Proteins as channels provide highly selective diffusive pathways gated by environmental factors, and as transporters furnish directed, energetically uphill transport consuming energy. X-ray crystallography of channels and transporters furnishes a rapidly growing number of atomic resolution structures, permitting molecular dynamics (MD) simulations to reveal the physical mechanisms underlying channel and transporter function. Ever increasing computational power today permits simulations stretching up to 1 μsec, i.e., to physiologically relevant time scales. Membrane protein simulations presently focus on ion channels, on aquaporins, on protein-conducting channels, as well as on various transporters. In this review we summarize recent developments in this rapidly evolving field.
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Cites
Molecular driving forces determining potassium channel slow inactivation
Cordero-Morales, J. F., Jogini, V., Lewis, A., Vásquez, V., Cortes, D. M., Roux, B., & Perozo, E. (2007) · Nature Structural & Molecular Biology · doi:10.1038/nsmb1309 · Cited by 236
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Self-citationNormal Mode Analysis of Biomolecular Structures: Functional Mechanisms of Membrane Proteins
Bahar, I., Lezon, T. R., Bakan, A., & Shrivastava, I. H. (2010) · Chemical Reviews · doi:10.1021/cr900095e · Cited by 537
CHARMM-GUI Martini Maker for Coarse-Grained Simulations with the Martini Force Field
Qi, Y., Ingólfsson, H. I., Cheng, X., Lee, J., Marrink, S. J., & Im, W. (2015) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.5b00513 · Cited by 494
Aquaporins in Clinical Medicine
Verkman, A. S. (2012) · Annual Review of Medicine · doi:10.1146/annurev-med-043010-193843 · Cited by 388
Millisecond-scale molecular dynamics simulations on Anton
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Metadata
- Authors
- Khalili-Araghi, F., Gumbart, J., Wen, P.-C., Sotomayor, M., Tajkhorshid, E., & Schulten, K.
- Venue
- Current Opinion in Structural Biology
- Publisher
- Elsevier BV
- Published
- 2009-04
- Volume
- 19
- Issue
- 2
- Pages
- 128-137
- ISSN
- 0959-440X (ISSN-L)
- OpenAlex
- W2080255536
- Cited by
- 216
- References
- 1
- FWCI
- 1.39
- Type
- journal article
- Language
- en
- Open access
- green
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