################################################################### # 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: 1883869790 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.4 0.000 0.000 2 -7.3 3.056 11.915 3 -7.0 4.303 16.591 4 -7.0 3.311 13.147 5 -7.0 3.504 7.802 6 -6.9 2.956 12.592 7 -6.8 20.177 24.714 8 -6.8 18.438 23.846 9 -6.8 19.872 26.011 10 -6.7 4.518 9.609 11 -6.7 22.371 26.636 12 -6.7 6.082 11.479 13 -6.7 4.036 12.850 14 -6.6 21.209 25.764 15 -6.5 21.400 27.217 16 -6.5 4.601 12.463 17 -6.4 3.126 6.886 18 -6.4 5.532 10.056 19 -6.3 4.915 12.827 20 -6.3 9.350 15.362 Writing output ... done.