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Beilstein J. Org. Chem. 2016, 12, 608–610, doi:10.3762/bjoc.12.59
Scheme 1: Scheme 2 in the original article: Predicted new linezolid-like candidates.
Beilstein J. Org. Chem. 2016, 12, 415–428, doi:10.3762/bjoc.12.45
Graphical Abstract
Figure 1: Two-dimensional structure and nomenclature of the oxazolidinone linezolid. The different rings are ...
Figure 2: Superposition of all low energy minima of linezolid applying AMBER (left) and OPLS-AA (right) force...
Figure 3: Superposition of the found global linezolid gas phase minimum (AMBER on the left and OPLS-AA on the...
Figure 4: RMSD/Potential energy plots for linezolid in the gas phase. The OPLS-AA plot is characterized by an...
Figure 5: Model building process. a) linezolid bound to the 50S subunit from Haloarcula marismortui, code 3CP...
Figure 6: Superposition of all 43 minima of the ribosome–linezolid complex. Linezolid is shown in yellow and ...
Figure 7: Comparison between ribo/S-lzd and ribo/R-lzd (quasi) global minima. On top, a 2D interaction diagra...
Scheme 1: Experimentally characterized linezolid analogues that were used as test cases for our simulation pr...
Scheme 2: Predicted new linezolid-like candidates.