################################################################### # 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: -1435460958 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 2 -8.5 3.648 14.541 3 -8.5 3.635 12.243 4 -8.4 2.917 10.318 5 -8.3 3.076 6.991 6 -8.3 3.136 12.179 7 -8.2 3.119 11.688 8 -8.1 3.234 8.406 9 -7.9 3.659 5.913 10 -7.9 4.111 12.203 11 -7.9 3.558 12.533 12 -7.9 4.115 13.650 13 -7.8 2.911 4.698 14 -7.8 2.672 13.740 15 -7.7 3.254 13.916 16 -7.6 2.978 14.310 17 -7.5 4.830 12.333 18 -7.5 2.486 12.912 19 -7.5 5.160 9.428 20 -7.4 3.698 13.786 Writing output ... done.