################################################################### # 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: -524021304 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 2 -8.2 28.384 31.904 3 -7.9 27.723 31.351 4 -7.9 23.851 27.841 5 -7.9 7.226 15.246 6 -7.9 24.539 28.598 7 -7.8 23.520 29.636 8 -7.7 7.920 14.830 9 -7.7 29.258 34.708 10 -7.6 5.943 16.891 11 -7.6 4.930 9.679 12 -7.6 24.456 28.910 13 -7.6 29.617 33.989 14 -7.5 24.101 27.585 15 -7.5 28.690 34.990 16 -7.5 21.158 28.035 17 -7.4 24.130 29.547 18 -7.4 23.974 28.302 19 -7.4 22.337 26.401 20 -7.4 22.555 26.987 Writing output ... done.