A Networks Approach to Modeling Enzymatic Reactions
Imhof P (2016)
Publication Type: Book chapter / Article in edited volumes
Publication year: 2016
Journal
Publisher: Academic Press Inc.
Edited Volumes: Methods in Enzymology
Series: Methods in Enzymology
Book Volume: 578
Pages Range: 249-271
DOI: 10.1016/bs.mie.2016.05.025
Abstract
Modeling enzymatic reactions is a demanding task due to the complexity of the system, the many degrees of freedom involved and the complex, chemical, and conformational transitions associated with the reaction. Consequently, enzymatic reactions are not determined by precisely one reaction pathway. Hence, it is beneficial to obtain a comprehensive picture of possible reaction paths and competing mechanisms. By combining individually generated intermediate states and chemical transition steps a network of such pathways can be constructed. Transition networks are a discretized representation of a potential energy landscape consisting of a multitude of reaction pathways connecting the end states of the reaction. The graph structure of the network allows an easy identification of the energetically most favorable pathways as well as a number of alternative routes.
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Germany (DE)How to cite
APA:
Imhof, P. (2016). A Networks Approach to Modeling Enzymatic Reactions. In Methods in Enzymology. (pp. 249-271). Academic Press Inc..
MLA:
Imhof, Petra. "A Networks Approach to Modeling Enzymatic Reactions." Methods in Enzymology. Academic Press Inc., 2016. 249-271.
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