Journal article Open Access

Tertiary structure of apolipoprotein A-I in nascent high-density lipoproteins

Pourmousa, Mohsen; Song, Hyun D.; He, Yi; Heinecke, Jay W.; Segrest, Jere P.; Pastor, Richard W.

Simulations 1 and 2 include 160:24:2 and 200:20:2 POPC:UC:APOA1, respectively. The simulations were run on the Anton 2 supercomputer, and converted to CHARMM readable files. The trajectories (dcd files) consist of frames at every 4.8 ns, and can be viewed using VMD (first upload the psf and then the dcd file corresponding to each simulation). Initial and final configurations are also deposited (crd and pdb files, respectively). These files are sufficient to perform any analysis. The article can be found at https://doi.org/10.1073/pnas.1721181115.

 

Files (24.5 GB)
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160popc-24chol-2apoa1-0-20microseconds-skip-every-4.8ns.dcd
md5:e622b6914055f72b0ba6f9f617e2869e
16.1 GB Download
160popc-24chol-2apoa1-20microseconds.pdb
md5:433f8f99e52398ae52fde5e459d56d4d
2.4 MB Download
160popc-24chol-2apoa1-initial-condition.crd
md5:0b3846a0d6961c568af9179480cadbd7
45.3 MB Download
160popc-24chol-2apoa1.psf
md5:f2ea98a10bace4be9f1c706eb4a4d148
68.6 MB Download
200popc-20chol-2apoa1-0-10microseconds-skip-every-4.8ns.dcd
md5:13fcc0f58c5ffa3a0d6fea24b8d415a1
8.2 GB Download
200popc-20chol-2apoa1-10us.pdb
md5:b1f156cd565aba7a0523fe7725226d24
2.8 MB Download
200popc-20chol-2apoa1-initial-condition.crd
md5:d79a1d347464c51379e8231dc1cc448a
46.3 MB Download
200popc-20chol-2apoa1.psf
md5:02036158bce85fe858c3bc20ade998b2
70.7 MB Download
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