PDB File and MD Simulation results for "The atypical sphingolipid SPB 18:1(14Z);O2 is a biomarker for DEGS1 related hypomyelinating leukodystrophy"

<p>Supplementary structural file for article: &quot;The atypical sphingolipid SPB 18:1(14Z);O2 is a biomarker for DEGS1 related hypomyelinating leukodystrophy&quot;:</p> <p>-Predicted Structure of DEGS1 docked to C16 Ceramide in PDB format</p> <p>- 2.5 &micro;sec Molecular Dynamics Simulation of this DEGS1-Ceramide complex embedded in a DPPC membrane and surrounded by TIP3 water and 150 mM NaCl as mp4&nbsp;(movies) or as original trajectory. In the version with the smaller file size solvent molecules and the membrane are invisible for clarity.&nbsp;</p> <p>Software/Webservices used for generation: AlphaFold, PPM3 web server, CHARM-GUI PDB Manipulator, Maestro/Glide/Ligprep/Desmond (Schr&ouml;dinger Inc.).</p> <p>Version 1 contained videos in mpeg format that caused error with some players. In Version 2 videos are converted to mp4.&nbsp;</p>