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CABS-flex Modeling Scheme

Pipeline

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CABS-flex is a method for efficient simulations of protein flexibility. CABS-flex combines CABS coarse-grained model with structural clustering of the simulation results and reconstruction of selected models to all-atom representation. Number of models generated at each modeling step can be set up by the user. In the default mode (presented in the figure below), CABS-flex trajectory counts 1000 models in coarse-grained representation that are clustered to 10 representative models, subsequently reconstructed to all-atom models. In addition to protein models in PDB format, CABS-flex standalone provides a number of analysis and visualization options such as contact maps and histograms. The picture below shows CABS-flex pipeline with default settings.

CABS-flex pipeline

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