################################################################### # 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: -1241961990 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.0 0.000 0.000 2 -6.0 20.567 25.606 3 -5.9 2.952 11.655 4 -5.9 20.574 24.363 5 -5.8 20.021 25.638 6 -5.8 20.382 24.769 7 -5.7 3.589 11.077 8 -5.7 21.118 24.736 9 -5.6 19.851 24.935 10 -5.6 21.619 25.534 11 -5.5 20.328 26.217 12 -5.4 19.790 26.114 13 -5.3 20.800 24.955 14 -5.3 19.663 24.691 15 -5.3 21.648 25.287 16 -5.2 20.008 25.072 17 -5.2 3.062 9.520 18 -5.2 3.327 8.802 19 -5.2 3.542 9.744 20 -5.1 20.345 25.623 Writing output ... done.