################################################################### # 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: 724619640 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 2 -7.7 2.532 7.070 3 -7.6 2.383 7.722 4 -7.6 5.064 11.654 5 -7.5 2.322 7.822 6 -7.4 2.833 6.333 7 -7.3 2.939 9.367 8 -7.3 2.983 7.579 9 -7.3 3.363 8.610 10 -7.3 2.426 8.083 11 -7.1 2.611 7.930 12 -7.1 2.839 7.721 13 -7.1 2.236 6.791 14 -7.0 2.923 7.558 15 -7.0 2.497 7.899 16 -7.0 2.593 6.097 17 -6.9 3.141 8.681 18 -6.9 3.101 10.476 19 -6.8 2.765 8.784 20 -6.8 4.405 11.439 Writing output ... done.