################################################################### # 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: 193341421 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -9.2 0.000 0.000 2 -9.2 2.862 16.348 3 -9.2 4.179 17.647 4 -9.1 2.760 5.531 5 -9.1 2.659 16.382 6 -9.0 3.089 16.193 7 -8.8 3.737 17.250 8 -8.8 2.901 17.303 9 -8.8 7.136 17.163 10 -8.8 6.317 11.025 11 -8.7 3.218 17.179 12 -8.7 9.068 14.438 13 -8.7 8.253 15.934 14 -8.7 3.875 7.140 15 -8.6 3.754 16.260 16 -8.5 3.476 6.609 17 -8.5 2.715 4.905 18 -8.4 3.535 8.273 19 -8.3 3.590 6.466 Writing output ... done.