title: Simulation CER160_128_POPC_512_TM3_10_5up_5down_NaCl_150mM_310K_rep1 membrane
author: Hector Martinez-Seara
description: Title publication: A Ceramide-Regulated Element in the Late Endosomal Protein LAPTM4B Controls Amino Acid Transporter Interaction Year publication: 2018 DOI publication: 10.1021/acscentsci.7b00582 Description: Simulation of a membrane containing 512 POPC and 128 ceramide (CER160) together with ten LAPTM4B-TM3 peptides using charmm36 at 310K. MD engine: 2016.2-dev-20170105-4feb0be Force field: charmm36 Temperature: 310 K Pressure: 1 bar Simulation time: 3200 ns Saving frequency: 100 ps Molecular content: TM3            10 POPC        512 CER160     128 SOL       31990 NA              96 CL               86 Additional information:     * Membrane containing LAPTM4B TM3 peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2).