Published April 11, 2018
| Version v1
Journal article
Open
Tertiary structure of apolipoprotein A-I in nascent high-density lipoproteins
Creators
- 1. Laboratory of Computational Biology, National Lung, Heart, and Blood Institute, National Institutes of Health, Bethesda, MD 20892
- 2. Department of Medicine, Vanderbilt University Medical Center, Nashville, TN 37232
- 3. Diabetes and Obesity Center of Excellence, University of Washington, Seattle, WA 98109
Description
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.
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