################################################################### # If you used Vina-GPU in your work, please cite: # # # # Tang, S.; Chen, R.; Lin, M.; Lin, Q.; Zhu, Y.; Ding, J.; Hu, H.;# # Ling, M.; Wu, J. Accelerating AutoDock Vina with GPUs. # # Molecules 2022, 27, 3041. # # https://doi.org/10.3390/molecules27093041 # # # # And also the origin AutoDock Vina paper: # # O. Trott, A. J. Olson, # # AutoDock Vina: improving the speed and accuracy of docking # # with a new scoring function, efficient optimization and # # multithreading, Journal of Computational Chemistry 31 (2010) # # 455-461 # # # # DOI 10.1002/jcc.21334 # # # ################################################################### WARNING: The search space volume > 27000 Angstrom^3 (See FAQ) Reading input ... done. Setting up the scoring function ... done. Analyzing the binding site ... done. Using random seed: 1088029830 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 2 -7.4 16.531 21.642 3 -7.2 11.712 22.005 4 -7.2 19.015 23.848 5 -7.1 7.932 13.931 6 -7.1 4.283 11.441 7 -7.0 19.120 23.605 8 -7.0 9.782 17.769 9 -6.9 16.791 24.895 10 -6.9 19.374 27.684 11 -6.9 6.900 16.881 12 -6.9 9.180 19.241 13 -6.8 12.424 20.507 14 -6.8 16.493 24.112 15 -6.8 14.578 20.326 16 -6.8 11.687 18.585 17 -6.7 6.587 11.171 18 -6.6 14.271 22.101 19 -6.6 8.136 15.023 20 -6.5 16.385 22.174 Writing output ... done.