################################################################### # 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: 1511835096 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.0 0.000 0.000 2 -4.6 32.016 36.470 3 -4.6 31.766 36.942 4 -4.6 25.582 31.685 5 -4.6 27.691 33.352 6 -4.5 25.398 30.533 7 -4.5 32.761 37.069 8 -4.5 32.121 36.158 9 -4.4 27.063 33.113 10 -4.4 2.989 6.795 11 -4.4 25.750 31.803 12 -4.3 32.796 37.320 13 -4.2 26.687 31.003 14 -4.2 30.765 34.898 15 -4.1 30.107 34.607 16 -4.1 17.313 20.772 17 -4.1 6.307 9.718 18 -4.1 26.388 31.294 19 -4.1 8.070 12.284 20 -4.0 32.591 36.544 Writing output ... done.