################################################################### # 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: -430960281 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.6 0.000 0.000 2 -5.5 26.598 30.941 3 -5.5 25.214 29.443 4 -5.4 24.757 29.321 5 -5.4 6.637 11.956 6 -5.4 26.626 32.976 7 -5.4 25.023 28.659 8 -5.4 23.594 28.531 9 -5.4 23.616 28.065 10 -5.3 23.520 27.226 11 -5.3 10.669 14.567 12 -5.2 24.372 28.220 13 -5.2 23.195 27.898 14 -5.2 30.340 36.255 15 -5.2 24.206 28.383 16 -5.1 2.861 7.958 17 -5.1 15.665 21.412 18 -5.1 3.560 10.691 19 -5.1 26.683 32.795 20 -5.1 24.718 28.888 Writing output ... done.