Published June 17, 2019
| Version v1
Dataset
Open
Simulation POPC_512_TM3_D2A_10_5up_5down_NaCl_150mM_310K_rep3 membrane
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 POPC membrane containing ten LAPTM4B-TM3 with D2A mutation in the water phase using charmm36 at 310K.
MD engine: gromacs 2016.1
Force field: charmm36
Temperature: 310 K
Pressure: 1 bar
Simulation time: 2000 ns
Saving frequency: 100 ps
Molecular content:
TM3_D2A 10
POPC 512
SOL 29366
NA 79
CL 79
Additional information:
* Membrane containing LAPTM3_D2A peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2). D to A muation.
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