################################################################### # 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: -1400905160 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.0 0.000 0.000 2 -8.0 5.896 18.464 3 -8.0 6.945 17.941 4 -7.6 6.571 18.363 5 -7.6 5.221 9.710 6 -7.6 4.026 8.218 7 -7.5 21.999 29.396 8 -7.5 7.033 18.266 9 -7.4 23.617 31.055 10 -7.4 21.471 27.502 11 -7.3 20.674 26.770 12 -7.3 22.758 29.639 13 -7.3 23.312 30.523 14 -7.3 5.783 19.038 15 -7.2 6.265 17.265 16 -7.2 2.958 5.353 17 -7.1 22.091 28.841 18 -7.1 25.777 31.035 19 -7.1 23.960 30.568 Writing output ... done.