################################################################### # 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: -122761954 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.7 0.000 0.000 2 -6.6 2.754 4.675 3 -6.5 3.468 5.418 4 -6.4 3.729 6.532 5 -6.3 16.813 24.108 6 -6.3 3.589 6.835 7 -6.1 18.252 23.129 8 -6.1 19.151 26.198 9 -6.0 19.893 24.102 10 -5.9 17.199 25.461 11 -5.9 20.116 27.016 12 -5.9 21.088 25.827 13 -5.9 19.940 27.264 14 -5.9 3.814 5.992 15 -5.9 19.063 26.256 16 -5.9 20.029 27.003 17 -5.9 17.592 24.952 18 -5.8 20.223 26.652 19 -5.8 19.578 24.388 20 -5.7 19.679 26.845 Writing output ... done.