Coarse-grained modeling

Coarse-grained modeling, coarse-grained models, aim at simulating the behaviour of complex systems using their coarse-grained (simplified) representation. Coarse-grained models are widely used for molecular modeling of biomolecules at various granularity levels. A wide range of coarse-grained models have been proposed. They are usually dedicated to computational modeling of specific molecules: proteins, nucleic acids, lipid membranes, carbohydrates or water. In these models, molecules are represented by individual atoms and pseudo-atoms (that replace the group of atoms), or pseudo-atoms only. By decreasing the degrees of freedom much longer simulation times can be studied than using classical atomistic models. Coarse-grained models have found practical applications in: protein structure pr

Coarse-grained modeling

Coarse-grained modeling, coarse-grained models, aim at simulating the behaviour of complex systems using their coarse-grained (simplified) representation. Coarse-grained models are widely used for molecular modeling of biomolecules at various granularity levels. A wide range of coarse-grained models have been proposed. They are usually dedicated to computational modeling of specific molecules: proteins, nucleic acids, lipid membranes, carbohydrates or water. In these models, molecules are represented by individual atoms and pseudo-atoms (that replace the group of atoms), or pseudo-atoms only. By decreasing the degrees of freedom much longer simulation times can be studied than using classical atomistic models. Coarse-grained models have found practical applications in: protein structure pr