################################################################### # 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: -592570630 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 2 -7.4 11.205 16.617 3 -7.4 3.511 12.249 4 -7.4 19.806 27.443 5 -7.4 3.115 12.748 6 -7.3 3.425 12.347 7 -7.3 3.294 5.441 8 -7.3 28.269 32.490 9 -7.3 2.209 5.264 10 -7.2 10.535 16.700 11 -7.2 2.668 13.002 12 -7.2 11.262 18.598 13 -7.2 7.998 15.725 14 -7.2 17.980 24.358 15 -7.1 3.361 11.689 16 -7.1 2.170 3.555 17 -7.0 21.817 27.272 18 -7.0 13.939 20.598 19 -6.9 3.858 6.921 20 -6.9 6.704 12.286 Writing output ... done.