Journal article
Modeling supramolecular assemblages
Current Opinion in Structural Biology, Vol.12(2), pp.154-160
2002
DOI: 10.1016/S0959-440X(02)00303-2
PMID: 11959491
Abstract
There has been some progress (but not much) in simulating supramolecular assemblages in the past year. The two main technical advances have been, firstly, the establishment of a protocol for extracting equilibrium thermodynamic data from forced (i.e. nonequilibrium) simulations and experiments, and, secondly, the development of a method for accurately calculating the electrostatics of enormous systems. Some recent applications have demonstrated the increasing feasibility of performing meaningful simulations of very large systems.
An unnecessarily provocative review of the latest advances and future directions for the modeling of large molecular systems.
Details
- Title: Subtitle
- Modeling supramolecular assemblages
- Creators
- Adrian H Elcock - Department of Biochemistry, University of Iowa, Iowa City, IA 52242-1109, USA
- Resource Type
- Journal article
- Publication Details
- Current Opinion in Structural Biology, Vol.12(2), pp.154-160
- Publisher
- Elsevier Ltd
- DOI
- 10.1016/S0959-440X(02)00303-2
- PMID
- 11959491
- ISSN
- 0959-440X
- eISSN
- 1879-033X
- Language
- English
- Date published
- 2002
- Academic Unit
- Physics and Astronomy; Biochemistry and Molecular Biology
- Record Identifier
- 9984024505302771
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