################################################################### # 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: -371867574 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 -6.4 18.802 26.036 3 -6.2 12.756 20.467 4 -6.2 6.391 10.177 5 -6.2 12.030 18.977 6 -6.1 3.481 5.699 7 -6.1 18.883 23.288 8 -6.1 20.313 26.452 9 -6.1 2.747 11.897 10 -6.1 4.320 9.743 11 -6.0 21.205 26.533 12 -6.0 15.474 21.037 13 -6.0 12.212 18.202 14 -5.9 11.668 16.791 15 -5.9 10.757 16.760 16 -5.9 11.997 19.096 17 -5.8 21.243 27.424 18 -5.8 12.537 20.420 19 -5.8 10.513 18.545 20 -5.8 18.637 25.910 Writing output ... done.