################################################################### # 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: 808459330 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.6 0.000 0.000 2 -5.9 3.766 10.693 3 -5.9 23.028 27.872 4 -5.8 3.984 8.824 5 -5.6 2.588 6.721 6 -5.5 21.735 25.876 7 -5.5 6.374 14.818 8 -5.5 20.370 24.833 9 -5.5 4.227 9.902 10 -5.5 2.431 11.847 11 -5.4 6.418 15.297 12 -5.4 18.972 23.318 13 -5.4 5.318 14.219 14 -5.3 5.694 14.381 15 -5.3 3.760 9.342 16 -5.2 5.786 14.107 17 -5.2 20.383 25.382 18 -5.2 18.894 22.833 19 -5.2 6.950 14.684 20 -5.1 3.490 8.016 Writing output ... done.