Published June 18, 2019
| Version v1
Dataset
Open
Simulation CER160_128_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K_rep1 membrane
Authors/Creators
- 1. Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences
Description
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: 3200 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).
Files
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