Simulation POPC_512_TM4_10_5up_5down_NaCl_150mM_310K membrane

2019-08-01T06:28:24Z (GMT) by Hector Martinez-Seara

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).