Simulation CER160_128_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K_rep2 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 of a membrane containing 512 POPC and 128 ceramide (CER160) together with ten LAPTM4B-TM3 peptides using charmm36 at 310K. MD engine: 2016.2-dev-20170105-4feb0be Force field: charmm36 Temperature: 310 K Pressure: 1 bar Simulation time: 4200 ns Saving frequency: 100 ps Molecular content: TM3 10 POPC 512 CER160 128 SOL 31990 NA 96 CL 86 Additional information: * Membrane containing LAPTM4B TM3 peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2).

Related Organizations

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

Keywords

Charmm36, POPC, gromacs, simulation, TM3, LAPTM4B,petide, transmembrane, Charmm36, POPC, gromacs, simulation, TM3, LAPTM4B,petide, transmembrane

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