Abstract
Atomic-detailed computational models of lignocellulose can complement experiments in understanding its structure and dynamics. Here, we present results of Molecular Dynamics simulation of the plant cell wall polymer lignin. Polymer theory is employed to interpret these results. Finally the steps towards a realistic model of lignocellulose are discussed.1. L. Petridis and J.C. Smith (2009); A molecular mechanics force field for lignin; Journal of Computational Chemistry 30 457-4672. R. Shulz, B. Lindner, L. Petridis and J.C. Smith (in print); Scaling of Multimillion-atom Biological Molecular Dynamics Simulation on a Petascale Supercomputer; DOI: 10.1021/ct900292r
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
