################################################################### # 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: -1296645944 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -11.0 0.000 0.000 2 -10.8 2.096 4.287 3 -10.8 2.618 5.716 4 -10.7 2.673 15.260 5 -10.7 3.161 15.726 6 -10.6 2.396 16.232 7 -10.6 3.448 16.244 8 -10.5 5.673 16.864 9 -10.5 2.958 15.987 10 -10.5 4.113 9.035 11 -10.5 2.253 5.064 12 -10.4 2.404 4.607 13 -10.4 2.661 15.360 14 -10.4 2.881 6.414 15 -10.3 3.837 14.355 16 -10.3 3.214 14.462 17 -10.3 2.418 15.859 18 -10.2 4.560 9.649 19 -10.1 2.734 15.809 20 -10.1 5.570 17.041 Writing output ... done.