################################################################### # 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: 495220860 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 2 -7.3 11.170 17.445 3 -7.0 9.865 16.857 4 -6.8 17.832 23.730 5 -6.8 3.311 13.612 6 -6.8 13.409 26.154 7 -6.7 19.097 26.651 8 -6.7 9.317 20.684 9 -6.7 8.461 19.897 10 -6.7 7.833 17.381 11 -6.6 11.429 17.863 12 -6.6 17.325 29.954 13 -6.6 9.100 18.295 14 -6.5 5.962 17.914 15 -6.5 7.622 17.531 16 -6.5 5.146 8.116 17 -6.3 7.882 12.961 18 -6.3 19.469 24.536 19 -6.2 13.717 22.876 20 -6.1 18.203 24.300 Writing output ... done.