################################################################### # 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: -1147619986 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 2 -7.7 3.363 7.054 3 -7.3 2.931 11.718 4 -7.1 2.975 10.618 5 -7.0 3.159 10.921 6 -7.0 3.319 7.505 7 -6.9 3.137 11.115 8 -6.9 3.032 6.417 9 -6.9 3.555 11.644 10 -6.9 2.940 7.785 11 -6.8 2.819 10.832 12 -6.7 6.292 11.819 13 -6.7 2.696 10.819 14 -6.6 2.707 10.976 15 -6.6 3.128 11.271 16 -6.6 3.596 6.461 17 -6.6 3.013 8.771 18 -6.6 2.720 7.848 19 -6.4 3.085 11.491 20 -6.3 3.246 11.459 Writing output ... done.