################################################################### # 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: -1689964055 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 2 -9.6 6.239 17.807 3 -9.5 8.979 14.757 4 -9.3 3.980 15.018 5 -9.3 8.318 14.976 6 -9.2 6.764 20.218 7 -9.2 8.049 13.469 8 -9.2 2.511 16.766 9 -9.1 8.771 15.160 10 -9.1 8.450 17.807 11 -9.0 7.507 10.661 12 -9.0 7.428 20.720 13 -9.0 3.088 17.171 14 -9.0 6.762 18.365 15 -9.0 8.594 14.601 16 -8.9 11.237 18.428 17 -8.9 6.863 20.644 18 -8.9 7.363 20.470 19 -8.9 6.980 11.824 20 -8.7 6.539 18.962 Writing output ... done.