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Additional file 1: of Benchmarking of different molecular docking methods for protein-peptide docking

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journal contribution
posted on 2019-02-04, 05:00 authored by Piyush Agrawal, Harinder Singh, Hemant Srivastava, Sandeep Singh, Gaurav Kishore, Gajendra Raghava
S1. Sequence similarity at 40% between the proteins of PPDbench dataset using CD-HIT software. S2. Distance between the original peptides and the peptides with changed coordinates. S3 (a-f). FNAT values of 133 complexes obtained for all 6 docking methods by blind docking. S4 (a-f). L-RMSD values of 133 complexes obtained for all 6 docking methods by blind docking. S5 (a-f). I-RMSD values of 133 complexes obtained for all 6 docking methods by blind docking. S6 (a-d). FNAT values of 133 complexes obtained for 4 docking methods by re-docking. S7 (a-d). L-RMSD values of 133 complexes obtained for 4 docking methods by re-docking. S8 (a-d). I-RMSD values of 133 complexes obtained for 4 docking methods by re-docking. S9 (a-c). FNAT, L-RMSD and I-RMSD values for the top poses of all the considered docking methods obtained by blind docking. S10 (a-c). FNAT, L-RMSD and I-RMSD values for the best poses of all the considered docking methods obtained by blind docking. S11. Deviation in the success rate with the increase in the I-RMSD values obtained by blind docking. S12. (a-g). L-RMSD values of 40 complexes obtained for 7 docking methods by blind docking. S13 (a-d). L-RMSD values of 40 complexes obtained for docking methods which perform re-docking. (DOCX 1777 kb)

Funding

J.C. Bose National Fellowship

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