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Data and scripts from: Obtaining soft matter models of proteins and their phase behavior

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DataCite Commons2022-11-18 更新2024-07-13 收录
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https://idn.duke.edu/ark:/87924/r4ww7bs1p
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资源简介:
Globular proteins are roughly spherical biomolecules with attractive, and highly directional interactions. This microscopic observation motivates describing these proteins as patchy particles: hard spheres with attractive surface patches. Mapping a biomolecule to a patchy model requires simplifying effective protein-protein interactions, which in turn provides a microscopic understanding of the protein solution behavior. The patchy model can indeed be fully analyzed, including its phase diagram. In this chapter, we detail the methodology of mapping a given protein to a patchy model and of determining the phase diagram of the latter. We also briefly describe the theory upon which the methodology is based, provide practical information, and discuss potential pitfalls.
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Duke Digital Repository
创建时间:
2022-11-03
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