################################################################### # 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: 574909376 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 2 -7.0 22.375 25.540 3 -6.9 3.782 11.345 4 -6.8 4.154 7.594 5 -6.8 2.533 14.087 6 -6.7 3.719 8.073 7 -6.6 3.263 8.675 8 -6.6 2.875 6.046 9 -6.6 2.617 12.880 10 -6.6 3.380 8.610 11 -6.5 2.897 14.610 12 -6.5 2.578 14.817 13 -6.5 21.235 24.339 14 -6.4 4.811 9.309 15 -6.4 2.790 6.373 16 -6.4 3.471 7.934 17 -6.3 2.711 4.915 18 -6.3 3.041 6.631 19 -6.2 3.100 11.748 Writing output ... done.