Simulations of a pulmonary surfactant monolayer with additional compounds
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Simulation of POPC:POPE 1:1 membrane, model by Maciejewski and Rog
A POPC:POPE 1:1 bilayer with 64 lipids per leaflet is simulated for 300 ns using the model by Maciejewski and Rog [1,2] and Gromacs simulation engine version 2019.4. The trajectory (.xtc) is saved eve
NIAID Data Ecosystem60
Simulations of POPC/cholesterol mixtures at 298 K, three system sizes, LIPID17
GROMACS input and output files. LIPID17. Membranes with 64, 256, and 1024 lipids.
Zenodo2022-08-15 更新30
MD simulation trajectory of a fully hydrated DPPG bilayer @298K: SLIPIDS, Gromacs 5.0.4. 2017.
MD simulation trajectory files, for fully hydrated DPPG bilayer [288 DPPG, 11232 WAT and 288 NA ions]. The SLIPIDS force field was used with Gromacs 5.0.4. Conditions: T=298K. 400 ns trajectory, last
NIAID Data Ecosystem20
MD Simulation data for a pure POPE bilayer with AMOEBA force field + OpenMM
MD simulation data for the POPE bilayer with the AMOEBA-based force field developed by Li (https://doi.org/10.1080/00268976.2018.1436201). The simulation contains 72 POPE lipids and 2880 water molec
NIAID Data Ecosystem60
Longer simulation of a Lo/Ld phase coexistence in a PSM/DOPC/Cholesterol mixture with additional POPC
Longer version of the entry: https://zenodo.org/record/3985089 details to be added
Zenodo2021-02-02 更新20
