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. 2016 Mar 10;12(3):e1004794. doi: 10.1371/journal.pcbi.1004794

Table 1. Description of the SMOG 2 templates included in the distribution.

Except where noted, the native contact map is generated by the Shadow algorithm [41] using an input all-atom PDB structure. The elastic network model is in the same spirit as Tirion’s [46], but the contact map is different and the spring stiffness is system independent.

Template Ref. Description
SBM_AA [26] All heavy atoms explicitly represented, Lennard-Jones potentials for native atomic contacts, handles RNA/DNA/protein/ligands
SBM_AA+gaussian [42, 43] SBM_AA with Gaussian potentials for native atomic contacts
SBM_AA_charged [44] SBM_AA with charged ARG, LYS, GLU, ASP, N/C-terminal
SBM_CA [7] Single Cα bead per residue, Lennard-Jones potentials for native residue contacts, developed for proteins
SBM_CA+gaussian [45] SBM_CA with Gaussian potentials for native residue contacts
ENM All-atom elastic network model, harmonic potentials for native atomic contacts, 6 Å cutoff determines native contact map