Coarse-Grained Protein Models and Their Applications
University of Warsaw · Mossakowski Medical Research Institute, Polish Academy of Sciences · +2 more institutions
Abstract
The traditional computational modeling of protein structure, dynamics, and interactions remains difficult for many protein systems. It is mostly due to the size of protein conformational spaces and required simulation time scales that are still too large to be studied in atomistic detail. Lowering the level of protein representation from all-atom to coarse-grained opens up new possibilities for studying protein systems. In this review we provide an overview of coarse-grained models focusing on their design, including choices of representation, models of energy functions, sampling of conformational space, and applications in the modeling of protein structure, dynamics, and interactions. A more detailed…
Citation impact
- FWCI
- 44.22
- Percentile
- 100%
- References
- 624
Authors
6- SKSebastian KmiecikCorresponding
University of Warsaw
- DGDominik Gront
University of Warsaw
- MKMichał Koliński
Mossakowski Medical Research Institute, Polish Academy of Sciences, Polish Academy of Sciences
- ŁWŁukasz Wieteska
Medical University of Lodz, University of Warsaw
- AEAleksandra E. Badaczewska-Dawid
University of Warsaw
Topics & keywords
- Representation (politics)
- Molecular dynamics
- Protein structure prediction
- Chemistry
- Protein dynamics
- Protein structure
- Computer science
- Biological system
- Affordable and clean energy