################################################################### # 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: 1273372672 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.8 0.000 0.000 2 -6.7 3.799 14.488 3 -6.7 2.460 5.647 4 -6.6 7.440 13.820 5 -6.5 3.163 13.458 6 -6.4 5.277 14.453 7 -6.4 8.021 14.423 8 -6.4 16.770 22.904 9 -6.4 5.572 11.706 10 -6.4 12.579 18.669 11 -6.2 4.033 8.442 12 -6.2 5.696 15.080 13 -6.1 6.902 16.571 14 -6.1 10.598 15.524 15 -6.0 16.324 23.294 16 -6.0 6.622 16.719 17 -5.9 5.986 15.068 18 -5.9 4.164 6.640 19 -5.9 3.297 12.739 20 -5.8 17.743 24.241 Writing output ... done.