Obtaining Soft Matter Models of Proteins and their Phase Behavior.
Journal Article (Journal Article)
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. Data and scripts relevant to this work have been archived and can be accessed at https://doi.org/10.7924/r4ww7bs1p .
Full Text
Duke Authors
Cited Authors
- Altan, I; Charbonneau, P
Published Date
- January 2019
Published In
Volume / Issue
- 2039 /
Start / End Page
- 209 - 228
PubMed ID
- 31342429
Pubmed Central ID
- 31342429
Electronic International Standard Serial Number (EISSN)
- 1940-6029
International Standard Serial Number (ISSN)
- 1064-3745
Digital Object Identifier (DOI)
- 10.1007/978-1-4939-9678-0_15
Language
- eng