################################################################### # 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: -874358720 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.2 0.000 0.000 2 -5.1 28.829 34.081 3 -5.0 23.531 29.221 4 -4.7 24.038 29.922 5 -4.7 25.067 30.101 6 -4.6 25.446 30.506 7 -4.6 31.556 36.854 8 -4.6 3.395 7.630 9 -4.6 4.317 12.167 10 -4.5 25.351 30.491 11 -4.5 7.023 14.153 12 -4.5 25.026 32.263 13 -4.5 29.913 35.447 14 -4.4 24.555 30.245 15 -4.4 4.982 11.488 16 -4.4 13.579 18.987 17 -4.3 2.909 6.471 18 -4.3 26.366 32.342 19 -4.3 9.356 13.584 20 -4.2 26.745 31.889 Writing output ... done.