################################################################### # 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: 1162754804 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 2 -6.0 3.780 8.328 3 -5.9 12.929 17.635 4 -5.9 3.310 6.055 5 -5.9 6.746 11.474 6 -5.9 4.437 12.904 7 -5.8 4.575 10.211 8 -5.7 3.238 7.002 9 -5.6 2.932 6.834 10 -5.6 15.965 21.054 11 -5.6 4.397 10.113 12 -5.6 3.333 6.236 13 -5.6 2.858 6.766 14 -5.6 4.844 8.821 15 -5.3 3.026 7.438 16 -5.3 5.518 9.602 17 -5.3 3.155 6.070 18 -5.2 15.363 20.977 19 -5.2 5.375 13.801 20 -5.2 3.108 11.889 Writing output ... done.