################################################################### # 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: 1513003970 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -5.8 0.000 0.000 2 -5.7 32.447 36.288 3 -5.6 5.605 10.959 4 -5.6 26.218 31.364 5 -5.5 25.811 30.525 6 -5.4 24.999 30.105 7 -5.4 30.799 36.144 8 -5.4 33.222 36.908 9 -5.4 29.997 35.460 10 -5.4 30.178 35.591 11 -5.3 31.449 35.952 12 -5.3 29.381 34.819 13 -5.2 29.953 34.677 14 -5.2 30.409 35.702 15 -5.2 26.719 31.430 16 -5.2 32.412 36.597 17 -5.2 27.469 32.222 18 -5.1 29.722 34.452 19 -5.1 7.240 13.691 20 -5.0 28.692 33.494 Writing output ... done.