Computational Modeling in Lignocellulosic Biofuel Production

This ACS Symposium Series title presents recent advancements in the field. Chapters present original research on ab initio molecular dynamics investigation of xylan hydrolysis; simulations of the structure of cellulose; atomistic simulation of lignocellulosic biomass and associated cellulosomal protein complexes; modeling the cellulosome using multiscale methods; meso-scale modeling of polysaccharides in plant cell walls; energy storage in cellulase linker peptides; QM/MM analysis of cellulase active sites and actions of the enzymes on substrates; molecular simulation methods; and quantum mechanical modeling of sugar thermochemistry.

• Format: Hardcover
• Language: English
• ISBN: 0841225710
• ISBN13: 9780841225718
• Release Date: October 2011
• Publisher: American Chemical Society
• Length: 352 Pages
• Weight: 1.50 lbs.
• Dimensions: 0.9" x 9.1" x 6.2"