| Molecular Docking Server https://www.dockingserver.com/forum/ |
|
| Reproducibility https://www.dockingserver.com/forum/viewtopic.php?f=5&t=173 |
Page 1 of 1 |
| Author: | Mago_De_Astorias [ Tue Apr 04, 2017 3:42 pm ] |
| Post subject: | Reproducibility |
In our investigation group, We are trying to reproduce the data but it throws different data between calculations, with the same parameters. Are we doing somethng wrong? Thanks in advance |
|
| Author: | bikadi [ Wed Apr 05, 2017 6:03 pm ] |
| Post subject: | Re: Reproducibility |
You do nothing wrong, molecular docking has a random factor. If you increase the number of runs and evaluations, you have higher chance to find the most robust solution. |
|
| Author: | Siddhartha Kundu [ Sat Sep 02, 2017 9:29 am ] |
| Post subject: | Re: Reproducibility |
Hi, is it possible to fix the ligand parameters such that the results are reproducible? |
|
| Author: | bikadi [ Wed Sep 06, 2017 7:12 pm ] |
| Post subject: | Re: Reproducibility |
Results are reproducable with increasing number of runs and evaluations. |
|
| Page 1 of 1 | All times are UTC |
| Powered by phpBB © 2000, 2002, 2005, 2007 phpBB Group http://www.phpbb.com/ |
|