title: Evaluating spatial constraints in cellular assembly processes using a monte carlo approach.
abstract: Biomolecular behavior commonly involves complex sets of interacting components that are challenging to understand through solution-based chemical theories. Molecular assembly is especially intriguing in the cellular environment because of its links to cell structure in processes such as chemotaxis. We use a coarse-grained Monte Carlo simulation to elucidate the importance of spatial constraints in molecular assembly. We have performed a study of actin filament polymerization through this space-aware probabilistic lattice-based model. Quantitative results are compared with nonspatial models and show convergence over a wide parameter space, but marked divergence over realistic levels corresponding to macromolecular crowding inside cells and localized actin concentrations found at the leading edge during cell motility. These conclusions have direct implications for cell shape and structure, as well as tumor cell migration.
authors.affiliation: Department of Mechanical Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213, USA.
authors.forename: Kathleen
authors.initials: K
authors.lastname: Puskar
authors.forename: Shlomo
authors.initials: S
authors.lastname: Ta 'asan
authors.forename: Russell
authors.initials: R
authors.lastname: Schwartz
authors.forename: Philip R
authors.initials: PR
authors.lastname: LeDuc
mesh_terms: D008841:Actin Cytoskeleton / Q000502:physiology*; D002465:Cell Movement; D002468:Cell Physiological Phenomena; D048430:Cell Shape; D003198:Computer Simulation; D008954:Models, Biological; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry / Q000378:metabolism
chemical_list: D011108:Polymers