SPNS2-S1P-Glucose Simulation Trajectories

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Authors: Prem P. Chapagain, Md Lokman Hossen, Sarah Spiegel, Cynthia Weigel
Cited by: 0

Abstract

This list contains the pdb, psf, and dcd files for three different systems of SPNS2, two in inward-facing (IF) conformation and one in outward-facing (OF) conformation: 1) IF with S1P, 2) IF with S1P and glucose, and 3) OF with glucose. The trajectories uploaded here are saved at 1 ns/frame (i.e., 1000 frames = 1000 ns). The trajectories are not pbc-wrapped or aligned. To load a trajectory, load vmdstate (.vmd file): File-->Load Vmdstate --> IF_8ex4_S1P_up_noG_1nspf_1000ns_Run1.vmd Or load the trajectories in VMD: mol new IF_8ex4_S1P_up_noG.psf mol addfile IF_8ex4_S1P_up_noG_1nspf_1000ns_Run1.dcd waitfor all

Fields of Study & Subjects

Protein Structure and Dynamics Receptor Mechanisms and Signaling Sphingolipid Metabolism and Signaling

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
25 February 2026
Language
EN
Document type
Dataset