################################################################### # 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: -1397997184 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 2 -7.5 3.128 5.632 3 -7.5 2.933 15.219 4 -7.3 23.401 26.988 5 -7.2 4.635 9.672 6 -7.2 22.274 26.991 7 -7.1 20.971 24.462 8 -7.1 5.325 11.494 9 -7.1 2.756 4.363 10 -7.1 4.065 14.498 11 -7.0 3.654 13.974 12 -7.0 22.724 27.392 13 -7.0 20.310 25.306 14 -7.0 20.471 24.023 15 -6.9 3.945 8.183 16 -6.9 4.713 14.152 17 -6.9 2.239 3.825 18 -6.8 3.488 8.876 19 -6.8 3.806 6.657 20 -6.7 3.758 6.778 Writing output ... done.