################################################################### # 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: -1173530649 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.2 0.000 0.000 2 -7.2 4.205 7.716 3 -7.1 3.077 15.426 4 -7.1 3.548 12.620 5 -7.1 17.174 21.697 6 -7.0 1.762 2.087 7 -6.9 3.111 14.732 8 -6.8 3.063 15.071 9 -6.8 1.724 3.166 10 -6.7 18.210 22.206 11 -6.7 3.628 11.937 12 -6.7 3.523 14.454 13 -6.7 5.059 14.429 14 -6.6 19.109 25.117 15 -6.6 6.269 11.160 16 -6.4 3.701 7.208 17 -6.4 3.449 14.890 18 -6.4 3.104 10.917 19 -6.4 17.573 21.887 20 -6.3 19.002 23.433 Writing output ... done.