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Coarse-Grained Simulations of Protein Folding: Bridging Theory and Experiments

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Protein Folding

Part of the book series: Methods in Molecular Biology ((MIMB,volume 2376))

Abstract

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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Acknowledgments

VGC was funded by Grant 2016/13998-8 and 2017/09662-7, FAPESP (São Paulo Research Foundation and Higher Education Personnel) and CAPES and (Higher Education Personnel Improvement Coordination) and also acknowledges NSF (National Science Foundation) Grants PHY-2019745 and CHE-1614101. VMO was supported by the CNPq (National Council for Scientific and Technological Development) Grant Process No. 141985/2013-5, and FAPESP 2018/11614-3. VBPL was supported by the CNPq and FAPESP Grant 2014/06862-7, 2016/19766-1, and 2019/22540-3.

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Authors and Affiliations

  1. Rice University, CTBP/BRC, Houston, TX, USA

    Vinícius G. Contessoto

  2. Brazilian Biosciences National Laboratory, LNBio/CNPEM, Campinas, SP, Brazil

    Vinícius M. de Oliveira

  3. São Paulo State University, IBILCE/UNESP, São José do Rio Preto, SP, Brazil

    Vinícius M. de Oliveira & Vitor B. P. Leite

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  1. Vinícius G. Contessoto
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  2. Vinícius M. de Oliveira
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  3. Vitor B. P. Leite
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Correspondence to Vitor B. P. Leite .

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Editors and Affiliations

  1. Department of Bioengineering and Center for Cellular and Biomolecular Machines, University of California, Merced, Merced, CA, USA

    Victor Muñoz

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Contessoto, V.G., de Oliveira, V.M., Leite, V.B.P. (2022). Coarse-Grained Simulations of Protein Folding: Bridging Theory and Experiments. In: Muñoz, V. (eds) Protein Folding. Methods in Molecular Biology, vol 2376. Humana, New York, NY. https://doi.org/10.1007/978-1-0716-1716-8_16

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  • DOI: https://doi.org/10.1007/978-1-0716-1716-8_16

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  • Publisher Name: Humana, New York, NY

  • Print ISBN: 978-1-0716-1715-1

  • Online ISBN: 978-1-0716-1716-8

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