The modification of lignin through genetic manipulation of biosynthetic pathways has been an active and fruitful area of research for a considerable period of time.  Lignins from transgenic poplars with elevated levels of syringyl groups have been found to exhibit differing properties with respect to fungal attack.  Based on the working hypothesis that the presence of high levels of syringyl groups will alter the conformation of lignin in comparison to a wild-type oligomer, molecular dynamics calculations have been applied to these structures under varying temperature and solvation regimes.  The effect of structure and environment on polymer properties, such as radius of gyration, end-to-end distance and solvent accessible surface are reported.     <br/>

Application of molecular dynamics calculations to high-syringyl lignin oligomers

2019 Spring National Meeting

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