################################################################### # 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: -2097063882 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.3 0.000 0.000 2 -8.2 8.896 16.400 3 -8.0 8.156 15.384 4 -8.0 2.869 5.957 5 -7.9 7.227 14.921 6 -7.9 8.797 16.512 7 -7.9 10.187 17.802 8 -7.9 10.132 17.399 9 -7.8 8.945 16.424 10 -7.8 8.674 16.096 11 -7.7 8.019 15.057 12 -7.7 10.300 17.470 13 -7.7 9.679 17.070 14 -7.6 3.536 10.736 15 -7.6 8.761 16.077 16 -7.6 10.596 18.298 17 -7.5 6.336 12.920 18 -7.5 2.633 8.539 19 -7.5 7.787 15.102 Writing output ... done.