################################################################### # 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: 1193254910 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.9 0.000 0.000 2 -6.8 23.486 28.951 3 -6.7 22.456 28.103 4 -6.7 24.733 29.549 5 -6.7 5.189 10.052 6 -6.6 22.459 27.310 7 -6.6 24.483 29.945 8 -6.6 24.509 29.193 9 -6.6 25.332 29.195 10 -6.5 21.714 27.960 11 -6.5 24.651 28.935 12 -6.4 22.221 27.280 13 -6.4 3.322 10.665 14 -6.4 21.608 27.209 15 -6.3 22.457 26.895 16 -6.3 24.169 28.341 17 -6.2 24.156 30.048 18 -6.2 21.827 28.020 19 -6.2 24.021 28.232 20 -6.1 21.984 26.846 Writing output ... done.