################################################################### # 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: 1853862928 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.2 0.000 0.000 2 -8.1 4.626 8.159 3 -8.1 2.929 5.535 4 -8.1 4.572 16.373 5 -8.0 6.212 19.637 6 -8.0 5.132 9.271 7 -8.0 4.585 10.468 8 -8.0 3.060 15.864 9 -7.9 2.968 6.221 10 -7.9 5.451 8.982 11 -7.9 6.222 14.289 12 -7.9 7.222 19.032 13 -7.8 3.081 16.140 14 -7.8 4.942 10.916 15 -7.8 5.358 10.895 16 -7.7 4.819 9.380 17 -7.7 6.488 19.191 18 -7.7 4.550 8.609 19 -7.7 5.233 11.166 Writing output ... done.