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Apollo
Article . 2004
Data sources: Apollo
St Andrews Research Repository
Article . 2004 . Peer-reviewed
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CMLSnap: Animated reaction mechanisms

Authors: Holliday, G L; Mitchell, John B. O.; Murray-Rust, P;

CMLSnap: Animated reaction mechanisms

Abstract

Reactions with many steps can be represented by a single XML-based table of the atoms, bonds and electrons. For each step the complete Chemical Markup Language 1 representation of all components is obtained and a snapshot representing the end point of the step is generated. These snapshots can then be combined to give an animated description of the complete reaction, both in "2D" chemical structure diagrams and in three dimensions. Here we demonstrate the method's power with enzymatic reactions. It should be noted that readers of this paper will benefit from having an SVG (Scalable Vector Graphics) viewer plugin.

The authors thank the EPSRC for financial support of this project and Unilever for their support of the Centre for Molecular Science Informatics.

Peer reviewed

Country
United Kingdom
Related Organizations
Keywords

reaction mechanisms, Reaction mechanisms, animation, enzyme reaction mechanisms, A BETA-LACTAMASES, QD, Animation, 540, QD Chemistry, 510, Enzyme reaction mechanisms

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green