CMLSnap: Animated reaction mechanisms


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Authors
Holliday, GL 
Mitchell, JBO 
Murray-Rust, P 
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 Language1 representation of all components is given. 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.

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Keywords
reaction mechanisms, animation, enzyme reaction mechanisms, A BETA-LACTAMASES
Journal Title
INTERNET J CHEM
Conference Name
Journal ISSN
1099-8292
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