################################################################### # 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: -886880043 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.5 0.000 0.000 2 -7.9 6.017 14.272 3 -7.8 7.274 14.840 4 -7.8 5.834 11.207 5 -7.8 5.079 10.436 6 -7.7 7.557 13.659 7 -7.6 5.662 11.062 8 -7.6 6.102 10.887 9 -7.5 5.329 12.876 10 -7.5 6.298 14.771 11 -7.4 8.182 13.324 12 -7.4 6.800 14.072 13 -7.3 5.435 10.809 14 -7.3 6.301 10.885 15 -7.3 6.598 14.326 16 -7.3 5.325 10.132 17 -7.2 5.941 10.719 18 -7.2 7.362 14.886 19 -7.2 5.597 13.615 20 -6.9 7.128 11.139 Writing output ... done.