################################################################### # 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: -2095865712 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.7 0.000 0.000 2 -9.2 1.910 4.057 3 -9.1 3.162 17.436 4 -9.1 2.467 4.913 5 -9.1 2.180 4.120 6 -9.1 2.216 5.793 7 -9.1 2.317 5.352 8 -8.8 3.607 17.035 9 -8.8 2.884 17.787 10 -8.8 2.347 6.204 11 -8.8 2.419 5.608 12 -8.7 2.468 17.035 13 -8.7 1.984 4.609 14 -8.6 2.944 17.209 15 -8.5 6.063 11.802 16 -8.5 3.012 17.153 17 -8.5 2.885 17.897 18 -8.5 1.932 2.599 19 -8.5 2.360 5.042 20 -8.5 3.932 18.059 Writing output ... done.