title: Molecular modeling of the cytoskeleton.
abstract: Molecular modeling techniques have truly come of age in recent decades, and here we cover several of the most commonly used techniques, namely molecular dynamics, Brownian dynamics, and molecular docking. In each case, we explain the physical basis and limitations of the various techniques and then illustrate their application to various problems related to the cytoskeleton. This set of studies covers a relatively wide range of examples and is comprehensive enough to clearly see how these techniques could be applied to other systems. Finally, we cover several related methodologies that expand on these basic techniques to allow for more detailed and specific simulation and analysis.
authors.affiliation: Department of Biomedical Engineering and Center for Computational Biology, Washington University, St. Louis, Missouri 63130, USA.
authors.forename: Xiange
authors.initials: X
authors.lastname: Zheng
authors.forename: David
authors.initials: D
authors.lastname: Sept
mesh_terms: D003198:Computer Simulation; D003599:Cytoskeleton / Q000737:chemistry*; D008024:Ligands; D008958:Models, Molecular; D011485:Protein Binding; D021281:Quantitative Structure-Activity Relationship; D055672:Static Electricity
chemical_list: D008024:Ligands