Rice University, CTBP/BRC, Houston, TX, USA.
Brazilian Biosciences National Laboratory, LNBio/CNPEM, Campinas, SP, Brazil.
Methods Mol Biol. 2022;2376:303-315. doi: 10.1007/978-1-0716-1716-8_16.
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.
计算粗粒化模型作为研究蛋白质折叠的工具具有重要作用，它们在连接理论和实验方面发挥着重要作用。折叠机制通常使用能量景观框架进行讨论，该框架在简化的基于结构的模型类中得到了很好的映射。本章讨论了简化的计算机模型，特别关注基于结构的模型。
