################################################################### # 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: 1129044418 Refining results ... done. mode | affinity | dist from best mode | (kcal/mol) | rmsd l.b.| rmsd u.b. -----+------------+----------+---------- 1 -8.7 0.000 0.000 2 -8.2 3.158 16.160 3 -8.1 4.971 10.634 4 -8.1 3.411 17.134 5 -8.1 2.655 17.018 6 -8.0 6.435 13.327 7 -8.0 3.151 7.096 8 -8.0 2.755 16.892 9 -7.9 2.475 17.319 10 -7.9 2.332 16.269 11 -7.9 4.146 8.530 12 -7.8 2.056 2.408 13 -7.8 2.790 4.846 14 -7.7 2.866 16.443 15 -7.7 3.892 7.995 16 -7.7 10.337 22.550 17 -7.6 2.339 5.419 18 -7.5 4.014 8.511 19 -7.5 2.716 4.018 20 -7.4 10.523 15.786 Writing output ... done.