################################################################### # 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: 2020064956 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.3 0.000 0.000 2 -9.3 6.238 13.966 3 -9.2 3.981 12.045 4 -9.1 9.216 15.441 5 -9.0 6.267 12.406 6 -9.0 7.238 14.256 7 -9.0 9.708 16.564 8 -8.9 9.787 18.114 9 -8.9 11.254 19.496 10 -8.9 10.044 18.188 11 -8.9 7.295 14.796 12 -8.9 2.620 12.764 13 -8.8 9.372 15.656 14 -8.8 7.475 15.586 15 -8.7 7.793 15.511 16 -8.6 8.809 16.817 17 -8.6 6.211 13.456 18 -8.6 8.604 16.531 19 -8.5 12.434 19.200 20 -8.4 8.955 16.717 Writing output ... done.