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Reproducibility https://www.dockingserver.com/forum/viewtopic.php?f=5&t=173 |
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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. |
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