Table 1 Description of AA and CG models of non-PEI molecules or systems.
From: Martini compatible coarse-grained model of polyethylenimine for pulmonary gene delivery
Molecule or system | Source of the AA model | Source of the CG model | Martini beads in the CG model |
|---|---|---|---|
DPPC Bilayer | Q0, Qa, Na, C1 | ||
DPPG Bilayer | P4, Qa, Na, C1 | ||
siRNA Sense: 5’-UGUGGAUGA-3’ Antisense: 3’-ACACCUACU-5’ | Smaller portion of siRNA for silencing BCL-2 gene.74 Initial structure using AMBERTOOLS NAB.75 | Built from AA structure using Martenize-nucleotide python script76 | SN0, SNda, TN0, TT2, TT3, Q0, TG2, TG3, TNa, TA2, TA3, TY2, TY3 |
SP-B Sequence of a monomer chain: LPYCWLCRALIKRIQAMIPK GALAVAVAQVCRVVPLVAG GICQCLAERYSVILLDTLLGR MLPQLVCRLVLRCS | Homology modeling by Olmeda et al.77 | Built from AA structure using the Martenize python script81 | C1, C2, C3, C5, SP1, SC4, SC4, P4, P5, N0, Na, Nd, Nda, Qa, Qd |
