Simulation CER160_128_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K_rep1 membrane

<strong>Title publication:</strong> <em>A Ceramide-Regulated Element in the Late Endosomal Protein LAPTM4B Controls Amino Acid Transporter Interaction</em> <strong>Year publication:</strong> 2018 <strong>DOI publication: </strong>10.1021/acscentsci.7b00582 <strong>Description:</strong> Simulation of a membrane containing 512 POPC and 128 ceramide (CER160) together with ten LAPTM4B-TM3 peptides using charmm36 at 310K. <strong>MD engine:</strong> 2016.2-dev-20170105-4feb0be <strong>Force field</strong>: charmm36 <strong>Temperature</strong>: 310 K <strong>Pressure:</strong> 1 bar <strong>Simulation time</strong>: 3200 ns <strong>Saving frequency</strong>: 100 ps <strong>Molecular content</strong>: TM3 10<br> POPC 512<br> CER160 128<br> SOL 31990<br> NA 96<br> CL 86 <strong>Additional </strong><strong>information</strong>:<br> * Membrane containing LAPTM4B TM3 peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2).**发表标题：** *晚期内体蛋白LAPTM4B中受神经酰胺调控的元件调控氨基酸转运体相互作用* **发表年份：** 2018 **发表DOI：** 10.1021/acscentsci.7b00582 **数据集描述：** 采用charmm36力场，在310K条件下对包含512个棕榈酰油酰磷脂酰胆碱（POPC）、128个神经酰胺（CER160）以及10条LAPTM4B-TM3肽段的膜体系开展分子动力学模拟。 **分子动力学引擎：** 2016.2-dev-20170105-4feb0be **力场：** charmm36 **温度：** 310 K **压力：** 1 bar **模拟时长：** 3200 ns **数据保存频率：** 100 ps **体系组分：** TM3：10 POPC：512 CER160：128 SOL：31990 NA：96 CL：86 **补充信息：** * 包含LAPTM4B TM3肽段（序列为Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2）的膜体系。