Coarse-graining Kohn-Sham Density Functional Theory
Article published in Journal of the Mechanics and Physics of Solids
coarse-graining
Review: Coarse-grained model for normal mode analysis of proteins
The preprint provides the summary and/or review of current state-of-art in coarse-grained modeling of protein structures for normal mode analysis. This review summarizes the quasiharmonic analysis, Go model, elastic network model, and recently suggested coarse-grained models for protein structures.
Abstract
Call for Papers: Multiscale Modeling and Simulation: from Molecules to Cells to Organisms
Dear Colleague,
We want to draw your attention to and encourage your participation in a special session on Multiscale Modeling and Simulation of the thirteenth Pacific Symposium on Biocomputing (PSB), to be held January 4-8, 2008, on the Big Island of Hawaii. PSB is an international, multidisciplinary conference with high impact on the theory and application of computational methods in problems of biological significance.
Model Reduction of Large Proteins for Normal Mode Studies
Recently, I reported the model reduction method for large proteins for understanding large protein dynamics based on low-frequency normal modes. This work was pubslihed at Journal of Computational Chemistry (click here).
Coarse-Graining of protein structures for the normal mode studies
Abstracts