################################################################### # 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: 857979720 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 -7.2 2.738 12.153 3 -7.2 2.516 5.566 4 -7.1 3.121 11.196 5 -7.1 3.563 7.812 6 -7.0 3.004 5.592 7 -7.0 3.840 7.931 8 -7.0 2.963 13.381 9 -7.0 4.827 8.446 10 -7.0 2.815 5.320 11 -6.9 5.834 10.836 12 -6.9 2.900 11.726 13 -6.9 4.855 9.871 14 -6.8 3.185 7.428 15 -6.8 1.938 3.697 16 -6.8 3.462 6.114 17 -6.8 5.103 9.272 18 -6.7 4.187 14.691 19 -6.7 4.075 6.775 20 -6.4 20.528 25.093 Writing output ... done.