################################################################### # 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: -1684746770 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 2 -6.9 20.713 23.995 3 -6.9 21.932 25.118 4 -6.9 3.944 16.576 5 -6.8 4.270 8.376 6 -6.8 3.937 11.984 7 -6.8 4.422 7.982 8 -6.8 5.235 11.473 9 -6.7 4.854 14.132 10 -6.7 6.174 13.873 11 -6.6 3.462 7.053 12 -6.6 3.929 14.607 13 -6.6 4.333 10.224 14 -6.5 3.482 8.013 15 -6.4 24.854 27.807 16 -6.4 4.719 10.363 17 -6.4 21.002 25.954 18 -6.4 19.719 25.389 19 -6.4 2.904 14.693 20 -6.4 5.251 10.116 Writing output ... done.