################################################################### # 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: -921380197 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -10.0 0.000 0.000 2 -9.9 2.371 5.854 3 -9.9 2.616 6.546 4 -9.7 2.363 17.165 5 -9.6 3.717 7.866 6 -9.5 5.348 17.899 7 -9.5 2.450 5.813 8 -9.5 2.533 17.308 9 -9.4 7.525 13.415 10 -9.4 1.854 3.251 11 -9.3 2.395 17.138 12 -9.2 2.171 4.937 13 -9.2 3.425 17.718 14 -9.1 3.809 17.725 15 -9.1 8.732 14.527 16 -9.1 11.659 19.279 17 -9.0 3.906 6.479 18 -8.9 3.489 5.961 19 -8.8 3.031 5.197 20 -8.8 11.017 21.128 Writing output ... done.