################################################################### # 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: -585388350 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.4 0.000 0.000 2 -8.3 4.541 16.385 3 -8.3 3.243 6.036 4 -8.2 1.775 2.427 5 -8.2 8.860 14.843 6 -8.2 2.118 3.044 7 -8.1 2.617 15.998 8 -8.0 2.383 4.887 9 -8.0 2.637 5.773 10 -8.0 2.646 15.336 11 -7.9 3.065 15.781 12 -7.9 2.569 5.130 13 -7.8 2.341 4.810 14 -7.8 1.672 2.622 15 -7.8 2.812 6.171 16 -7.7 5.494 17.101 17 -7.7 2.531 4.776 18 -7.7 2.224 3.897 19 -7.5 2.063 3.258 Writing output ... done.