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. 2022:2376:303-315.
doi: 10.1007/978-1-0716-1716-8_16.

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

Vinícius G Contessoto  1 , Vinícius M de Oliveira  2   3 , Vitor B P Leite  4
Affiliations

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

Vinícius G Contessoto et al. Methods Mol Biol. 2022.

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.

Keywords: Energy landscapes; Molecular dynamics; Structure-based models.

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