################################################################### # 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: -1582656111 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.3 0.000 0.000 2 -7.1 2.873 12.075 3 -7.0 2.956 12.469 4 -7.0 2.749 9.654 5 -6.9 2.632 8.378 6 -6.9 2.772 10.434 7 -6.9 2.648 10.414 8 -6.7 3.238 11.386 9 -6.6 3.074 10.634 10 -6.6 3.053 11.422 11 -6.6 2.862 7.221 12 -6.5 2.747 11.340 13 -6.5 3.693 10.690 14 -6.5 3.867 13.878 15 -6.4 3.034 11.434 16 -6.4 2.752 11.035 17 -6.3 4.720 12.000 18 -6.3 3.074 11.011 19 -6.2 3.078 11.477 Writing output ... done.