Coarse-grained simulation aims to simulate the behavior of a complex system using its coarse-grained (simplified) representation. Coarse-grained models are widely used for molecular modeling of biomolecules at various granularity levels. Various coarse-grained models have been proposed. They are usually devoted to computational modeling of specific molecules: proteins, nucleic acids, lipid membranes, carbohydrates or biological membranes. Coarse-grained models have been used practically in molecular dynamics simulations. CD BioSciences use computer-aided methods to provide CGMD service to help customers complete biofilm related research.
Intracellular interaction processes (such as protein-protein docking, ligand-binding site conformational changes, macromolecular folding, etc.) often involve a large number of different types of biomolecules and the collective motion of biomolecules, usually lasting longer than a few microseconds to a few milliseconds . Traditional all-atom simulations are difficult to achieve. Therefore, reducing the degrees of freedom of the simulated system by simplifying the details of all-atom simulations has created a long-standing large-scale simulation method—the coarse-grain (CG) simulation method.
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