################################################################### # 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: 1471346699 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.7 0.000 0.000 2 -5.5 3.070 11.155 3 -5.5 19.799 23.692 4 -5.5 15.898 21.396 5 -5.5 21.794 27.329 6 -5.5 2.948 11.535 7 -5.5 17.776 23.258 8 -5.4 18.388 22.364 9 -5.4 24.763 29.647 10 -5.4 16.449 20.522 11 -5.4 4.629 10.346 12 -5.3 2.832 6.594 13 -5.3 21.007 26.666 14 -5.2 3.949 11.846 15 -5.2 27.401 31.695 16 -5.1 21.709 26.211 17 -5.1 5.233 13.211 18 -5.1 2.873 6.137 19 -5.0 25.985 30.204 20 -4.9 2.589 5.339 Writing output ... done.