Generalized fundamental measure theory for atomistic modeling of macromolecular crowding.
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ABSTRACT:
SUBMITTER: Qin S
PROVIDER: S-EPMC3537823 | biostudies-literature | 2010 Mar
REPOSITORIES: biostudies-literature
Publications
Generalized fundamental measure theory for atomistic modeling of macromolecular crowding.
Qin Sanbo S Zhou Huan-Xiang HX
Physical review. E, Statistical, nonlinear, and soft matter physics 20100326 3 Pt 1
Macromolecular crowding inside cells affects the thermodynamic and kinetic properties of proteins. The scaled particle theory (SPT) has played an important role toward establishing a qualitative picture for the effects of crowding. However, SPT-based modeling lacks molecular details. Molecular dynamics simulations overcome this limitation, but at great computational cost. Here, we present a theoretical method for modeling crowding at the atomic level. The method makes it possible to achieve exha ...[more]
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