Coarse-Graining of Condensed Phase and Biomolecular Systems

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The effective speedup compared to the corresponding atomistic simulation is significantly above 10 3.

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    Abstract The paper introduces a systematic procedure to coarse grain atomistic polymer models into a mesoscopic model, which then allows an effective and fast simulation of melts. Citing Literature. Related Information.

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    Bayesian selection for coarse-grained models of liquid water

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    Customer Reviews

    Each chapter focuses on specific examples of coarse-graining methodologies and presents results for a variety of complex systems. Contributors detail the strengths and weaknesses of their own coarse-graining approaches and provide application examples. Focus is on two of the most successful coarse-graining schemes for soft matter: inverse and multiscale coarse-graining.

    Assessing the Accuracy of the SIRAH Force Field to Model DNA at Coarse Grain Level

    Also covered are minimalist and inversion approaches. The book also describes current coarse-grained model development for peptides and proteins at the amino acid level and larger length scales.


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