################################################################### # 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: 1617437408 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 2 -7.7 2.426 8.759 3 -7.6 2.374 6.020 4 -7.6 2.196 9.230 5 -7.5 17.157 22.856 6 -7.5 3.087 10.590 7 -7.4 2.323 7.257 8 -7.3 2.357 9.080 9 -7.3 2.713 9.135 10 -7.3 2.893 7.713 11 -7.3 2.773 8.068 12 -7.2 2.474 9.699 13 -7.1 2.683 6.549 14 -7.1 2.455 8.134 15 -7.1 2.574 6.572 16 -7.0 3.033 7.797 17 -7.0 3.999 11.301 18 -7.0 2.883 7.409 19 -6.9 2.367 8.327 20 -6.8 2.188 3.780 Writing output ... done.