DocumentCode :
769831
Title :
Computing at different levels of approximation: examples in molecular biology
Author :
Peters, Günther H. ; Frimurer, Thomas ; Toxvaerd, Soren ; Olsen, Ole H. ; Svendsen, Allan
Author_Institution :
Dept. of Chem., Copenhagen Univ., Denmark
Volume :
2
Issue :
3
fYear :
1995
Firstpage :
43
Lastpage :
54
Abstract :
As the power of computing grows, we can solve ever more complex biological problems. Still, the size of systems and the number of particles impose limitations. The paper considers how different levels of approximation can be useful in overcoming these limits. It presents an application example of each of these levels of approximation, examples which are particularly relevant in industrial product development: the use of amphiphilic molecules as surfactants, the adsorption of organic molecules on substrates, and the catalytic reaction of enzymes. It discusses the combination of atomic-scale and macroscale simulation
Keywords :
biology computing; digital simulation; molecular biophysics; simulation; adsorption; amphiphilic molecules; approximation levels; atomic-scale simulation; catalytic reaction; complex biological problems; enzymes; industrial product development; macroscale simulation; molecular biology; organic molecules; substrates; surfactants; Biochemistry; Biological system modeling; Biological systems; Biology computing; Coatings; Deformable models; Elasticity; Liquid crystal polymers; Polymer films; Viscosity;
fLanguage :
English
Journal_Title :
Computational Science & Engineering, IEEE
Publisher :
ieee
ISSN :
1070-9924
Type :
jour
DOI :
10.1109/99.414879
Filename :
414879
Link To Document :
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