################################################################### # 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: -1252978234 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.5 0.000 0.000 2 -7.5 4.461 16.088 3 -7.5 3.699 8.296 4 -7.4 4.655 10.335 5 -7.3 2.113 5.366 6 -7.3 3.621 7.528 7 -7.3 2.122 5.029 8 -7.3 5.172 8.542 9 -7.2 3.408 8.056 10 -7.1 4.082 15.914 11 -7.1 2.999 12.235 12 -7.1 3.565 15.196 13 -7.0 2.430 13.119 14 -7.0 2.979 6.341 15 -7.0 2.198 6.139 16 -6.9 3.653 6.147 17 -6.8 3.409 10.535 18 -6.7 4.067 7.685 19 -6.6 3.305 13.452 Writing output ... done.