################################################################### # 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: -2078332708 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 2 -7.0 2.467 8.500 3 -6.8 3.181 8.077 4 -6.8 3.461 8.649 5 -6.6 2.988 8.958 6 -6.6 2.836 7.062 7 -6.6 2.854 8.805 8 -6.6 3.267 9.461 9 -6.5 3.426 8.950 10 -6.4 2.968 7.728 11 -6.4 3.331 7.598 12 -6.4 3.034 8.952 13 -6.3 2.482 6.478 14 -6.3 2.688 8.290 15 -6.3 2.917 7.491 16 -6.3 2.638 8.783 17 -6.2 2.596 7.715 18 -6.2 2.440 4.201 19 -6.2 2.972 8.370 20 -6.1 3.893 8.955 Writing output ... done.