Results 231 to 240 of about 1,192,891 (278)

Chemical Model of a Biological Reaction

Nature, 1957
WE were searching for a model of an enzymatic reaction in the hope that the relatively simple chemistry of the model reaction might throw some light on the enzyme reaction itself. In particular, we were interested in finding a model which would duplicate some of the properties of lipases, notably their ability to catalyse the hydrolysis of lipids and ...
A, GERO, C L, WITHROW
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A model for oscillating chemical reactions

Biophysical Chemistry, 1975
A simple theoretical model for a class of oscillating chemical reactions is investigated, which is inspired by Degn's analysis of the mechanism of Belousov-Zhabotinsky reactions. Although the model involves only one auto-catalytic path, as distinct from models presented hitherto, a limit-cycle behaviour is found for the concentrations, corresponding to
K, Tomita, K, Kitahara
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MODELING SHOCK-INDUCED CHEMICAL REACTIONS

International Journal of Computational Engineering Science, 2000
A computational method is presented for modeling shock-induced chemical reactions (SICR) in multi-material solid powder mixtures. The reacting materials are assumed to be imiscible, which limits the location of the chemical reaction to the material interface between the reactants.
IAN P. H. DO, DAVID J. BENSON
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Coarse-Grained Chemical Reaction Model

The Journal of Physical Chemistry B, 2004
We have developed a methodology for including effects of chemical reactions in coarse-grained computer simulations such as those that use the united atom approximation. The new coarse-grained chemical reaction model (CGCRM) adopts the philosophy of kinetic Monte Carlo approaches and includes a probabilistic element to predicting when reactions occur ...
Yaroslava G. Yingling, Barbara J. Garrison   +1 more
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IDENTIFYING CHEMICAL REACTION NETWORK MODELS

IFAC Proceedings Volumes, 2007
In this work, an automated chemical reaction network identification procedure using a genetic algorithm (GA) is introduced. The GA uses chemical species concentration data obtained from batch reactors during process experimentation to build ordinary differential equation (ODE) models that represent the chemical reactions occurring.
S.C. Burnham, M.J. Willis, A.R Wright
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Modeling chemical reactions for drug design

Journal of Computer-Aided Molecular Design, 2007
Chemical reactions are involved at many stages of the drug design process. This starts with the analysis of biochemical pathways that are controlled by enzymes that might be downregulated in certain diseases. In the lead discovery and lead optimization process compounds have to be synthesized in order to test them for their biological activity.
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