Role of van der Waals, electrostatic, and hydrogen-bond interactions for the relative stability of cellulose Iβ and II crystals
R. Kullmann, M. Delbianco, C. Roth, T. R. Weikl
The paper compares the stability of cellulose Iβ and II crystals by analyzing electrostatic, van der Waals, and hydrogen-bond interactions using classical force fields.
bioRxiv · Mar 4, 2024Biophysics