################################################################### # 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: 1574163938 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 -7.2 26.868 31.481 3 -7.0 23.632 30.233 4 -6.9 24.672 28.858 5 -6.9 27.944 33.119 6 -6.7 23.044 29.564 7 -6.6 24.612 31.859 8 -6.6 27.125 32.527 9 -6.6 25.721 30.729 10 -6.6 28.050 33.884 11 -6.5 27.272 33.076 12 -6.5 3.841 11.339 13 -6.5 4.322 12.284 14 -6.5 23.953 29.766 15 -6.4 27.116 32.667 16 -6.4 26.826 32.542 17 -6.4 26.405 31.824 18 -6.3 28.373 31.821 19 -6.2 36.016 41.006 20 -6.1 29.910 33.618 Writing output ... done.