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CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids.
Yu Y, Krämer A, Venable RM, Brooks BR, Klauda JB, Pastor RW. Yu Y, et al. J Chem Theory Comput. 2021 Mar 9;17(3):1581-1595. doi: 10.1021/acs.jctc.0c01327. Epub 2021 Feb 23. J Chem Theory Comput. 2021. PMID: 33620194 Free PMC article.
Long-range Lennard-Jones (LJ) interactions have been incorporated into the CHARMM36 (C36) lipid force field (FF) using the LJ particle-mesh Ewald (LJ-PME) method in order to remove the inconsistency of bilayer and monolayer properties arising from the exclusion of long-range disp …
Long-range Lennard-Jones (LJ) interactions have been incorporated into the CHARMM36 (C36) lipid force field (FF) using the LJ particle-mesh …
All-Atom Modeling of Complex Cellular Membranes.
Hsieh MK, Yu Y, Klauda JB. Hsieh MK, et al. Among authors: yu y. Langmuir. 2022 Jan 11;38(1):3-17. doi: 10.1021/acs.langmuir.1c02084. Epub 2021 Dec 28. Langmuir. 2022. PMID: 34962814
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