Multiscale modeling of macromolecular biosystems.
In this article, we review the recent progress in multiresolution modeling of structure and dynamics of protein, RNA and their complexes. Many approaches using both physics-based and knowledge-based potentials have been developed at multiple granularities to model both protein and RNA. Coarse graining can be achieved not only in the length, but also in the time domain using discrete time and discrete state kinetic network models. Models with different resolutions can be combined either in a sequential or parallel fashion. Similarly, the modeling of assemblies is also often achieved using multiple granularities. The progress shows that a multiresolution approach has considerable potential to continue extending the length and time scales of macromolecular modeling.
Biomedical Center, Box 596, SE-751 24 Uppsala, Sweden. samuelfloresc@gmail.com
Samuel C
SC
Flores
Julie
J
Bernauer
Seokmin
S
Shin
Ruhong
R
Zhou
Xuhui
X
Huang
D003198:Computer Simulation; D007700:Kinetics; D046911:Macromolecular Substances / Q000737:chemistry*; D008962:Models, Theoretical; D011506:Proteins / Q000737:chemistry; D012313:RNA / Q000737:chemistry
D046911:Macromolecular Substances; D011506:Proteins; D012313:RNA