| Multiscale molecular dynamics simulations of membrane proteins. | |
| | |
MedLine Citation:
|
PMID: 23034767 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
|
The time and length scales accessible by biomolecular simulations continue to increase. This is in part due to improvements in algorithms and computing performance, but is also the result of the emergence of coarse-grained (CG) potentials, which complement and extend the information obtainable from fully detailed models. CG methods have already proven successful for a range of applications that benefit from the ability to rapidly simulate spontaneous self-assembly within a lipid membrane environment, including the insertion and/or oligomerization of a range of "toy models," transmembrane peptides, and single- and multi-domain proteins. While these simplified approaches sacrifice atomistic level detail, it is now straightforward to "reverse map" from CG to atomistic descriptions, providing a strategy to assemble membrane proteins within a lipid environment, prior to all-atom simulation. Moreover, recent developments have been made in "dual resolution" techniques, allowing different molecules in the system to be modeled with atomistic or CG resolution simultaneously. |
| | |
Authors:
|
Syma Khalid; Peter J Bond |
Related Documents
:
|
3693697 - Detection of simple and complex changes of spectral shape. 21497807 - Classical controller design techniques for fractional order case. 21225897 - Bias reduction in conditional logistic regression. 10665447 - Determination of nitrate and other water quality parameters in groundwater from uv/vis ... 21967587 - The influence of selection for vulnerability to angling on foraging ecology in largemou... 20423807 - Nearest-neighbor guided evaluation of data reliability and its applications. |
Publication Detail:
|
Type: Journal Article |
Journal Detail:
|
Title: Methods in molecular biology (Clifton, N.J.) Volume: 924 ISSN: 1940-6029 ISO Abbreviation: Methods Mol. Biol. Publication Date: 2013 |
Date Detail:
|
Created Date: 2012-10-04 Completed Date: - Revised Date: - |
Medline Journal Info:
|
Nlm Unique ID: 9214969 Medline TA: Methods Mol Biol Country: United States |
Other Details:
|
Languages: eng Pagination: 635-57 Citation Subset: IM |
Affiliation:
|
School of Chemistry, University of Southampton, Southampton, UK. |
Export Citation:
|
APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
|
|
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
Previous Document: An introduction to dissipative particle dynamics.
Next Document: Vesicles and vesicle fusion: coarse-grained simulations.