Simulation POPC_512_TM4_10_5up_5down_NaCl_150mM_310K membrane

Title publication: A Ceramide-Regulated Element in the Late Endosomal Protein LAPTM4B Controls Amino Acid Transporter Interaction Year publication: 2018 DOI publication: 10.1021/acscentsci.7b00582 Description: Simulation POPC membrane containing ten LAPTM4B-TM4 peptides and 9 ceramide (CER160) originally in the water phase using charmm36 at 310K. MD engine: gromacs 5.1.2 Force field: charmm36 Temperature: 310 K Pressure: 1 bar Simulation time: 4190 ns Saving frequency: 100 ps Molecular content: TM4 10 POPC 512 SOL 20470 NA 55 CL 65 Additional information: * Membrane containing LAPTM4B TM4 peptides (Ac-CLVLIILLFISIILTFKGYLISCVWNC-NH2).

Related Organizations

Czech Academy of Sciences
Czech Republic
Institute of Organic Chemistry and Biochemistry
Czech Republic

Keywords

Charmm36, ceramide, CER16, POPC, micelle, TM4, LAPTM4B,petide, transmembrane

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