################################################################### # 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: 1299469406 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.9 0.000 0.000 2 -7.9 3.109 5.506 3 -7.7 4.586 10.366 4 -7.7 4.242 7.100 5 -7.5 2.464 14.757 6 -7.4 2.514 13.971 7 -7.4 2.960 5.204 8 -7.4 3.683 5.631 9 -7.4 2.895 12.287 10 -7.3 4.433 8.863 11 -7.3 5.230 12.702 12 -7.3 4.211 7.971 13 -7.3 21.067 27.164 14 -7.2 2.404 4.583 15 -7.2 3.007 14.853 16 -7.2 5.283 8.950 17 -7.2 2.700 14.244 18 -7.1 23.719 29.619 19 -7.1 2.636 4.987 20 -6.8 9.898 16.709 Writing output ... done.