Coarse-grained and multiscale modeling of proteins [review paper presentation]

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The presented review provides an overview of protein coarse-grained models focusing on their design - representation, force-fields, conformational sampling schemes - and applications in the modeling of protein structure, dynamics, and interactions. A more detailed description is given for coarse-grained models suitable for efficient combinations with all-atom simulations in multiscale modeling pipelines.

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protein modeling,molecular modeling,molecular dynamics,protein folding,protein structure prediction,membrane proteins,protein interactions,protein dynamics,multiscale modeling,