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Drude Polarizable Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids.
Yu Y, Venable RM, Thirman J, Chatterjee P, Kumar A, Pastor RW, Roux B, MacKerell AD Jr, Klauda JB. Yu Y, et al. Among authors: kumar a. J Chem Theory Comput. 2023 May 9;19(9):2590-2605. doi: 10.1021/acs.jctc.3c00203. Epub 2023 Apr 18. J Chem Theory Comput. 2023. PMID: 37071552 Free PMC article.
Additive CHARMM36 Force Field for Nonstandard Amino Acids.
Croitoru A, Park SJ, Kumar A, Lee J, Im W, MacKerell AD Jr, Aleksandrov A. Croitoru A, et al. Among authors: kumar a. J Chem Theory Comput. 2021 Jun 8;17(6):3554-3570. doi: 10.1021/acs.jctc.1c00254. Epub 2021 May 19. J Chem Theory Comput. 2021. PMID: 34009984 Free PMC article.
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