################################################################### # 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: 780342660 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 2 -7.4 3.058 7.452 3 -7.4 3.062 8.775 4 -7.3 3.964 12.792 5 -7.3 1.846 2.427 6 -7.2 2.516 7.296 7 -7.1 4.542 12.522 8 -7.1 3.881 8.599 9 -7.1 2.184 3.207 10 -7.1 3.164 12.420 11 -7.0 3.373 7.060 12 -7.0 3.291 7.081 13 -7.0 2.829 7.014 14 -7.0 3.023 12.587 15 -6.9 2.749 6.955 16 -6.9 2.562 7.138 17 -6.8 3.682 8.556 18 -6.8 2.594 7.657 19 -6.7 2.950 7.003 20 -6.6 2.682 4.958 Writing output ... done.