################################################################### # 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: -682258884 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.0 0.000 0.000 2 -8.9 3.248 7.559 3 -8.7 2.924 6.308 4 -8.4 3.694 14.018 5 -8.4 2.897 7.103 6 -8.3 4.613 10.898 7 -8.3 3.652 13.748 8 -8.3 2.428 6.679 9 -8.3 1.784 2.146 10 -8.2 3.252 6.269 11 -8.2 3.682 9.328 12 -8.2 3.357 6.313 13 -8.1 4.082 13.607 14 -8.0 2.746 12.550 15 -8.0 3.155 7.492 16 -8.0 3.434 7.441 17 -7.9 3.722 9.220 18 -7.9 6.936 13.580 19 -7.8 3.436 10.088 20 -7.8 3.143 6.401 Writing output ... done.