Paper Citing NAMD - Abstract
Khelashvili, George; Kollmitzer, Benjamin; Heftberger, Peter; Pabst, Georg; Harries, Daniel
Calculating the Bending Modulus for Multicomponent Lipid Membranes in Different Thermodynamic Phases
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9:3866-3871, SEP 2013
We establish a computational approach to extract the bending modulus, K-C for lipid membranes from relatively small-scale molecular simulations. Fluctuations in the splay of individual pairs of lipids faithfully inform on K-C in multicomponent membranes over a large range of rigidities in different thermodynamic phases. Predictions are validated by experiments even where the standard spectral analysis-based methods fail. The local nature of this method potentially allows its extension to calculations of K-C in protein-laden membranes.
