################################################################### # 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: -1734849618 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.2 0.000 0.000 2 -6.2 26.864 33.495 3 -6.1 22.153 28.532 4 -6.0 23.591 29.724 5 -5.9 3.462 6.563 6 -5.9 27.921 34.894 7 -5.9 3.568 10.847 8 -5.9 24.749 31.552 9 -5.8 25.952 30.857 10 -5.8 26.277 32.011 11 -5.8 6.993 13.746 12 -5.8 3.309 9.404 13 -5.7 13.136 19.256 14 -5.7 24.314 30.371 15 -5.7 4.115 11.077 16 -5.6 2.565 4.645 17 -5.6 23.804 30.441 18 -5.6 23.670 30.536 19 -5.5 28.431 33.792 20 -5.5 26.852 30.751 Writing output ... done.