Simulation POPC_512_TM3_D2A_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><strong>Year publication:</strong></strong><strong> </strong>2018</p> <p><strong>DOI publication: </strong>10.1021/acscentsci.7b00582</p> <p><strong>Description:</strong> Simulation POPC membrane containing ten LAPTM4B-TM3 with D2A mutation in the water phase using charmm36 at 310K.</p> <p><strong>MD engine:</strong> gromacs 2016.1</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>: 800 ns</p> <p><strong>Saving frequency</strong>: 100 ps</p> <p><strong>Molecular content</strong>:</p> <p>TM3_D2A &nbsp;&nbsp; 10<br> POPC&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 512<br> SOL&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 29366<br> NA&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 79<br> CL&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 79</p> <p><strong>Additional </strong><strong>information</strong>:<br> &nbsp;&nbsp;&nbsp;&nbsp;* Membrane containing LAPTM3_D2A peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2). D to A muation.</p>