title: Simulation POPC_512_TM3_D2A_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 POPC membrane containing ten LAPTM4B-TM3 with D2A mutation in the water phase using charmm36 at 310K. MD engine: gromacs 2016.1 Force field: charmm36 Temperature: 310 K Pressure: 1 bar Simulation time: 800 ns Saving frequency: 100 ps Molecular content: TM3_D2A    10 POPC         512 SOL       29366 NA              79 CL               79 Additional information:     * Membrane containing LAPTM3_D2A peptides (Ac-AWIIPFFCYQIFDFALNMLVAITVLIY-NH2). D to A muation.