################################################################### # 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: -1328296308 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.5 0.000 0.000 2 -6.3 4.304 9.218 3 -6.3 3.586 9.746 4 -6.3 4.535 14.347 5 -6.2 21.257 25.368 6 -6.2 3.159 7.177 7 -6.1 22.393 27.196 8 -6.1 3.501 5.879 9 -6.0 19.691 22.998 10 -6.0 18.537 23.779 11 -6.0 20.794 24.808 12 -5.9 3.618 13.117 13 -5.9 22.894 26.925 14 -5.9 23.067 26.807 15 -5.8 17.414 23.244 16 -5.7 15.593 18.667 17 -5.7 3.611 14.393 18 -5.6 20.672 25.644 19 -5.6 21.886 26.380 20 -5.5 3.445 11.688 Writing output ... done.