3 papers
cond-mat.soft2019
Polysaccharide conformations measured by solution state x-ray scattering
Bradley W. Mansel, Timothy M. Ryan, Hsin-Lung Chen +2
Polysaccharides are semi-flexible polymers composed of sugar residues with a myriad of important functions including structural support, energy storage and immunogenicity. The loca…
cond-mat.soft2018
Resolving solution conformations of the model semi-flexible polyelectrolyte homogalacturonan using molecular dynamics simulations and small-angle x-ray scattering
Bradley W. Mansel, Amir Hossein Irani, Timothy M. Ryan +3
The conformation of polyelectrolytes in the solution state has long been of interest in polymer science. Herein we utilize all atom molecular dynamics simulations (MD) and small-an…
physics.bio-ph2006
On the simulation of enzymatic digest patterns: the fragmentation of oligomeric and polymeric galacturonides by endo-polygalacturonase II
Jonathan J Hunt, Randall G Cameron, Martin A. K. Williams
A simulation methodology for predicting the time-course of enzymatic digestions is described. The model is based solely on the enzyme's subsite architecture and concomitant binding…