Simulation CER160_128_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K_rep1 membrane

<p><strong>Title publication:</strong> <em>A Ceramide-Regulated Element in the Late Endosomal Protein LAPTM4B Controls Amino Acid Transporter Interaction</em></p> <p><strong>Year publication:</strong> 2018</p> <p><strong>DOI publication: </strong>10.1021/acscentsci.7b00582</p> <p><strong>Description:</strong> Simulation of a membrane containing 512 POPC and 128 ceramide (CER160) together with ten LAPTM4B-TM3 peptides using charmm36 at 310K.</p> <p><strong>MD engine:</strong> 2016.2-dev-20170105-4feb0be</p> <p><strong>Force field</strong>: charmm36</p> <p><strong>Temperature</strong>: 310 K</p> <p><strong>Pressure:</strong> 1 bar</p> <p><strong>Simulation time</strong>: 3200 ns</p> <p><strong>Saving frequency</strong>: 100 ps</p> <p><strong>Molecular content</strong>:</p> <p>TM3 &nbsp; &nbsp; &nbsp; &nbsp; &nbsp;&nbsp; 10<br> POPC&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;512<br> CER160&nbsp;&nbsp;&nbsp;&nbsp; 128<br> SOL&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 31990<br> NA&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 96<br> CL&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 86</p> <p><strong>Additional </strong><strong>information</strong>:<br> &nbsp;&nbsp;&nbsp;&nbsp;* Membrane containing LAPTM4B TM3 peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2).</p>