################################################################### # 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: 1805441184 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.6 0.000 0.000 2 -7.5 5.933 13.703 3 -7.3 4.842 13.179 4 -7.1 2.579 6.983 5 -7.0 5.373 12.951 6 -7.0 3.194 12.016 7 -6.9 2.394 6.113 8 -6.9 2.229 11.548 9 -6.9 2.691 6.485 10 -6.8 8.532 14.069 11 -6.7 4.452 9.848 12 -6.7 19.558 25.103 13 -6.7 2.919 11.218 14 -6.7 2.961 11.461 15 -6.5 3.184 11.468 16 -6.5 6.270 10.749 17 -6.5 6.831 16.389 18 -6.5 2.721 12.234 19 -6.4 4.457 9.104 20 -6.4 5.060 14.455 Writing output ... done.