################################################################### # 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: 1578220052 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 2 -7.5 3.240 6.151 3 -7.3 3.320 8.672 4 -7.3 2.984 9.416 5 -7.3 3.217 6.208 6 -7.2 2.987 10.243 7 -7.1 4.915 10.860 8 -7.0 3.930 8.812 9 -7.0 3.040 6.703 10 -7.0 3.970 8.323 11 -7.0 3.206 10.359 12 -7.0 3.844 9.542 13 -7.0 4.166 7.759 14 -7.0 3.597 8.764 15 -6.9 4.514 10.787 16 -6.9 3.039 8.259 17 -6.9 3.218 8.652 18 -6.9 4.293 10.284 19 -6.8 3.568 8.927 20 -6.8 3.529 9.242 Writing output ... done.