Publicação: Coarse-Grained Simulations of Protein Folding: Bridging Theory and Experiments
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Computational coarse-grained models play a fundamental role as a research tool in protein folding, and they are important in bridging theory and experiments. Folding mechanisms are generally discussed using the energy landscape framework, which is well mapped within a class of simplified structure-based models. In this chapter, simplified computer models are discussed with special focus on structure-based ones.
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Energy landscapes, Molecular dynamics, Structure-based models
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Inglês
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Methods in Molecular Biology, v. 2376, p. 303-315.