################################################################### # 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: -839801240 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.8 0.000 0.000 2 -7.8 4.867 17.260 3 -7.7 3.507 15.518 4 -7.5 5.552 14.416 5 -7.3 4.350 8.445 6 -7.3 4.025 8.436 7 -7.2 4.281 8.236 8 -7.2 3.273 6.898 9 -7.2 3.267 6.366 10 -7.2 3.821 13.238 11 -7.1 5.864 18.543 12 -7.1 2.801 5.973 13 -7.1 4.792 16.822 14 -7.1 2.465 5.882 15 -7.1 4.866 15.510 16 -7.0 5.407 18.086 17 -7.0 5.145 10.906 18 -6.9 4.303 8.816 19 -6.8 7.694 15.344 20 -6.6 4.471 9.561 Writing output ... done.