################################################################### # 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: 73894624 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -7.0 0.000 0.000 2 -6.7 25.654 30.968 3 -6.6 25.105 29.763 4 -6.6 19.888 26.695 5 -6.6 24.365 29.624 6 -6.6 15.488 20.209 7 -6.5 24.915 29.575 8 -6.3 26.733 33.201 9 -6.3 26.042 31.007 10 -6.3 25.944 32.492 11 -6.3 13.164 18.116 12 -6.3 17.490 21.770 13 -6.2 25.180 30.764 14 -6.2 26.042 31.286 15 -6.2 22.460 27.605 16 -6.2 27.169 31.407 17 -6.2 26.468 32.098 18 -6.1 20.399 25.174 19 -6.1 26.428 31.322 20 -6.1 27.023 32.238 Writing output ... done.