################################################################### # 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: 1598375187 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 2 -8.0 2.626 12.674 3 -8.0 3.420 12.103 4 -8.0 3.407 12.742 5 -7.9 4.759 14.423 6 -7.9 2.884 6.268 7 -7.8 4.527 11.653 8 -7.8 4.298 11.652 9 -7.8 3.427 12.751 10 -7.7 4.820 11.372 11 -7.7 3.512 12.857 12 -7.6 3.293 13.379 13 -7.6 2.450 6.363 14 -7.6 4.759 14.007 15 -7.5 2.949 13.293 16 -7.5 3.652 8.301 17 -7.4 3.227 12.312 18 -7.4 2.767 13.453 19 -7.4 4.261 11.072 20 -7.3 2.708 5.829 Writing output ... done.