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Partitioning into phosphatidylcholine-cholesterol membranes: liposome measurements, coarse-grained simulations, and implications for bioaccumulation.
Environ Sci Process Impacts. 2023 Jun 21;25(6):1082-1093. doi: 10.1039/d3em00081h.
Environ Sci Process Impacts. 2023.
PMID: 37158124
Automated Coarse-Grained Mapping Algorithm for the Martini Force Field and Benchmarks for Membrane-Water Partitioning.
Potter TD, Barrett EL, Miller MA.
Potter TD, et al.
J Chem Theory Comput. 2021 Sep 14;17(9):5777-5791. doi: 10.1021/acs.jctc.1c00322. Epub 2021 Sep 2.
J Chem Theory Comput. 2021.
PMID: 34472843
Free PMC article.
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Assessing the transferability of common top-down and bottom-up coarse-grained molecular models for molecular mixtures.
Potter TD , Tasche J , Wilson MR .
Potter TD , et al.
Phys Chem Chem Phys. 2019 Jan 23;21(4):1912-1927. doi: 10.1039/c8cp05889j.
Phys Chem Chem Phys. 2019.
PMID: 30632568
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Self-assembly and mesophase formation in a non-ionic chromonic liquid crystal: insights from bottom-up and top-down coarse-grained simulation models.
Potter TD, Walker M, Wilson MR.
Potter TD, et al.
Soft Matter. 2020 Oct 28;16(41):9488-9498. doi: 10.1039/d0sm01157f.
Soft Matter. 2020.
PMID: 32955531
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