################################################################### # 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: -1314866124 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -6.3 0.000 0.000 2 -6.1 28.012 31.790 3 -6.1 3.723 10.594 4 -5.9 27.171 32.758 5 -5.9 27.014 32.333 6 -5.8 26.082 31.546 7 -5.8 26.315 31.557 8 -5.8 26.870 31.976 9 -5.8 28.681 34.124 10 -5.8 26.044 31.258 11 -5.8 26.409 32.150 12 -5.8 26.405 32.448 13 -5.7 2.619 10.825 14 -5.7 25.178 30.565 15 -5.7 25.483 30.141 16 -5.7 26.173 31.524 17 -5.7 5.328 12.168 18 -5.6 27.006 32.513 19 -5.6 37.429 41.782 20 -5.4 37.878 41.564 Writing output ... done.