################################################################### # 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: 1925242734 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 2 -6.7 20.848 23.654 3 -6.7 2.782 10.662 4 -6.6 20.127 26.039 5 -6.5 19.302 23.697 6 -6.4 4.523 10.600 7 -6.4 2.613 9.718 8 -6.4 20.386 23.943 9 -6.4 20.949 25.552 10 -6.4 19.777 24.104 11 -6.4 21.725 26.285 12 -6.4 21.438 25.290 13 -6.2 2.266 4.404 14 -6.2 22.161 26.359 15 -6.2 20.886 25.437 16 -6.2 2.754 10.637 17 -6.1 21.506 27.245 18 -6.1 21.886 25.537 19 -5.9 3.228 6.174 Writing output ... done.