(Tm3_Asph-Cis)  Popc_512_Tm3_Asph_10_5Up_5Down_Nacl_150Mm_310K

System description ------------------- - Title: (TM3_ASPH-CIS) Simulation POPC_512_TM3_ASPH_10_5up_5down_NaCl_150mM_310K membrane - Description: Simulation of a POPC membrane containing ten LAPTM4B-TM3_ASPH peptides using charmm36 at 310K. (TM3 peptides have cis peptides bonds by mistake) - MD engine: gromacs 5.0.4 - Force field: charmm36 - Temperature: 310K - Simulation time: 2000ns - Saving frequency: 100ps - Molecular content: TM3_ASPH 10 POPC 512 SOL 20480 NA 55 CL 55 - Other information: * Membrane containing LAPTM4B TM3 peptides. * ASP 202 is in protonated form * 5 peptides pointing up/ 5 peptides pointing down - Problems * By mistake some peptides bonds in TM3 are in CIS configuration

Related Organizations

Czech Academy of Sciences
Czech Republic
Institute of Organic Chemistry and Biochemistry
Czech Republic

Keywords

Charmm36, POPC, Transmembrane peptide, LAPTM4B, TM3, Charmm36, POPC, Transmembrane peptide, LAPTM4B, TM3

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