Coarse-grained molecular dynamics simulations of SARS-CoV-2 envelope protein E in the pentameric form
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https://zenodo.org/record/5232498
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资源简介：
The trajectories of coarse-grained (CG) molecular dynamics (MD) simulations of
1) unmodified (FeigLab_NMR; FeigLab_PentamerNoPTM_POPC_Martini3b: 5 μs; 5 μs);
2) palmitoylated (FeigLab_PentamerCYSP43; PentamerCYSP44_POPC_Martini3b: 5 μs; 5 μs);
SARS-CoV-2 E protein pentamer in a POPC bilayer.
The trajectory of CG MD of system containing 2 pentamers in the membrane buckled in a single direction (BuckledMembrane_FeigLab_2xPentamerNoPTM_POPC_Martini3b: 1 μs).
FeigLab_Pentamer: https://github.com/feiglab/sars-cov-2-proteins/blob/master/Membrane/E_protein.pdb
FeigLab_NMR_Pentamer is assembled based on the transmembrane domain determined by NMR (PDB ID: 7K3G) and FeigLab model for the rest.
创建时间：
2024-03-02
