| Literature DB >> 21034218 |
Shina C L Kamerlin1, Spyridon Vicatos, Anatoly Dryga, Arieh Warshel.
Abstract
Recent years have witnessed an explosion in computational power, leading to attempts to model ever more complex systems. Nevertheless, there remain cases for which the use of brute-force computer simulations is clearly not the solution. In such cases, great benefit can be obtained from the use of physically sound simplifications. The introduction of such coarse graining can be traced back to the early usage of a simplified model in studies of proteins. Since then, the field has progressed tremendously. In this review, we cover both key developments in the field and potential future directions. Additionally, particular emphasis is given to two general approaches, namely the renormalization and reference potential approaches, which allow one to move back and forth between the coarse-grained (CG) and full models, as these approaches provide the foundation for CG modeling of complex systems.Entities:
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Year: 2011 PMID: 21034218 DOI: 10.1146/annurev-physchem-032210-103335
Source DB: PubMed Journal: Annu Rev Phys Chem ISSN: 0066-426X Impact factor: 12.703