################################################################### # 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: 1833301853 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.1 0.000 0.000 2 -7.0 3.544 7.478 3 -7.0 2.714 7.154 4 -6.9 3.366 13.642 5 -6.9 7.618 17.135 6 -6.9 5.236 15.614 7 -6.8 7.206 15.158 8 -6.8 19.266 23.474 9 -6.8 7.574 14.084 10 -6.8 21.240 26.447 11 -6.8 4.017 7.764 12 -6.7 4.091 15.099 13 -6.6 7.395 18.457 14 -6.6 4.124 15.386 15 -6.6 3.862 8.365 16 -6.6 4.511 14.571 17 -6.6 5.747 11.315 18 -6.6 18.679 22.540 19 -6.5 3.271 13.223 20 -6.5 4.359 9.305 Writing output ... done.