(A1-A3) Ca vectors of the first essential normal mode from PCA analysis for the GAx4, WT and W67F-L105W species. (A4) the squared displacement of each residue in the first mode. B-C squared displacement of each residue on the next two modes. (TIF 1669 kb
Two rounds of 50Â ns molecular dynamics simulation for SH13-LSTa, SH13-LSTc, TW17-LSTa, TW17-LSTc. A...
Residues contribution during the whole simulation process. The convergence analysis of energy contri...
The ubiquitin-proteasome system plays a central role in cellular regulation and protein quality cont...
(B) Cartoons of the GAx4 mutant at 2.9, 2.4, 40 and 100 ns of simulation showing displacement of the...
Squared cross correlation function of W67 against all other residues (wt trajectory). (TIF 1550 kb
Analyses of the changes in contacts for each individual GxA mutant, as compared to the WT. (A) The s...
Analyses of the changes in contacts for each individual GxA mutant compared to either WT or W67F-L10...
RMSD of the inhibitor residues for the WT, W67F, L105W and the double mutant. (TIF 2432 kb
Molecular Dynamics Analyses of D43A mutant. (A) Comparison of the backbone RMSD of the WT and the D4...
Molecular Dynamics Simulation determining best protomer state. (A) Backbone RMSD of the best protome...
Squared cross correlation function of D65 against all other residues (WT trajectory), showing main p...
Resume of the SDP identification by crossing SDPfox and Mistic analysis. (XLS 21 kb
List of the protomers tested (i.e. those with complete 40 ns simulations) showing the averaged RMSD....
Table resuming TCS and SNAP analyses. Each of the removed sequences was tested by TCS. Consensus sco...
Abstract Background Eqolisins are rare acid proteases found in archaea, bacteria and fungi. Certain ...
Two rounds of 50Â ns molecular dynamics simulation for SH13-LSTa, SH13-LSTc, TW17-LSTa, TW17-LSTc. A...
Residues contribution during the whole simulation process. The convergence analysis of energy contri...
The ubiquitin-proteasome system plays a central role in cellular regulation and protein quality cont...
(B) Cartoons of the GAx4 mutant at 2.9, 2.4, 40 and 100 ns of simulation showing displacement of the...
Squared cross correlation function of W67 against all other residues (wt trajectory). (TIF 1550 kb
Analyses of the changes in contacts for each individual GxA mutant, as compared to the WT. (A) The s...
Analyses of the changes in contacts for each individual GxA mutant compared to either WT or W67F-L10...
RMSD of the inhibitor residues for the WT, W67F, L105W and the double mutant. (TIF 2432 kb
Molecular Dynamics Analyses of D43A mutant. (A) Comparison of the backbone RMSD of the WT and the D4...
Molecular Dynamics Simulation determining best protomer state. (A) Backbone RMSD of the best protome...
Squared cross correlation function of D65 against all other residues (WT trajectory), showing main p...
Resume of the SDP identification by crossing SDPfox and Mistic analysis. (XLS 21 kb
List of the protomers tested (i.e. those with complete 40 ns simulations) showing the averaged RMSD....
Table resuming TCS and SNAP analyses. Each of the removed sequences was tested by TCS. Consensus sco...
Abstract Background Eqolisins are rare acid proteases found in archaea, bacteria and fungi. Certain ...
Two rounds of 50Â ns molecular dynamics simulation for SH13-LSTa, SH13-LSTc, TW17-LSTa, TW17-LSTc. A...
Residues contribution during the whole simulation process. The convergence analysis of energy contri...
The ubiquitin-proteasome system plays a central role in cellular regulation and protein quality cont...