Supporting Figures.
收藏NIAID Data Ecosystem2026-03-08 收录
下载链接：
https://figshare.com/articles/dataset/_Application_of_Enhanced_Sampling_Monte_Carlo_Methods_for_High_Resolution_Protein_Protein_Docking_in_Rosetta_/1440287
下载链接
链接失效反馈官方服务：
资源简介：
Figure A. Scatter plot of interaction score (I_sc) vs. ligand RMSD (L_rmsd) for the first 10 targets after 3x105 MC steps. All the panels have the same L_rmsd range of [0.30], and the same I_sc range of [-15.0 Rosetta score units]. For each target, the tested protocols are grouped together and the corresponding protocol is indicated in the score-axis label on the left side. The snapshot number is color-coded, with dark blue and dark red dots corresponding to decoys sampled at the beginning and towards the end of the sampling interval, respectively. Figure B. Same as Figure A in S1 File but for the docking searches up to 2x106 MC steps. Figure C. Same as Figure A in S1 File but for the docking refinement simulation with 107 MC steps. Figure D. Scatter plot of interaction score (I_sc) vs. ligand RMSD (L_rmsd) for the additional 10 targets with 3x105 MC steps. All the panels have the same L_rmsd range of [0.30], and the same I_sc range of [-15.0]. For each target, the tested protocols are grouped together and the corresponding protocol is indicated in the score-axis label on the left side. The snapshots number is color-coded, with dark blue and dark red dots corresponding to decoys sampled at the beginning and the end, respectively. Figure E. Same as Figure D in S1 File but for docking searches up to 2x106 MC steps. Figure F. Same as Figure D in S1 File but for docking searches with 107 MC steps.
(PDF)
创建时间：
2015-12-03
