################################################################### # 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: -974725934 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 2 -6.9 23.921 29.369 3 -6.8 26.947 31.444 4 -6.8 24.695 31.976 5 -6.7 27.749 33.510 6 -6.6 3.355 5.525 7 -6.5 6.226 11.030 8 -6.5 3.260 5.205 9 -6.5 20.769 26.125 10 -6.5 26.840 33.182 11 -6.4 4.424 8.440 12 -6.4 23.668 29.338 13 -6.4 23.428 32.854 14 -6.4 25.104 29.464 15 -6.4 25.096 30.529 16 -6.3 5.472 10.232 17 -6.3 25.156 31.033 18 -6.3 5.835 11.158 19 -6.2 21.207 27.302 20 -6.2 7.584 12.224 Writing output ... done.