Published April 26, 2018
| Version v1
Dataset
Open
Simulation CER160_50_POPC_512_NaCl_150mM_310K (rep1) - 10ps trajectory (Part2)
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.7b00556
Description: Simulation POPC membrane containing ~8% ceramide (CER160) using charmm36 at 310K.
Contains Part 2&3 (500-1069 ns) of the trajectory in https://zenodo.org/deposit/1219494 with saving a frequency 10 ps.
MD engine: Gromacs 2016.2-dev-20170105-4feb0be
Force field: charmm36
Temperature: 310 K
Pressure: 1 bar
Simulation time: 1069 ns
Saving frequency: 10 ps
Molecular content:
POPC 512
CER160 50
SOL 28100
NA 75
CL 75