################################################################### # 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: -971949660 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.7 0.000 0.000 2 -7.5 4.098 14.527 3 -7.5 3.267 13.370 4 -7.4 2.999 13.785 5 -7.4 2.627 13.105 6 -7.4 3.454 6.275 7 -7.3 4.412 13.810 8 -7.3 17.704 21.783 9 -7.3 5.105 15.965 10 -7.2 5.346 15.121 11 -7.2 4.442 14.357 12 -7.2 6.648 12.096 13 -7.1 4.104 11.652 14 -7.1 3.291 12.888 15 -7.1 3.123 13.734 16 -7.1 4.146 14.143 17 -7.0 6.011 16.942 18 -7.0 19.879 24.569 19 -7.0 19.805 25.826 20 -6.9 21.537 25.940 Writing output ... done.