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Mago_De_Astorias
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Post subject: Reproducibility  Posted: Tue Apr 04, 2017 3:42 pm |
Joined: Mon Apr 03, 2017 3:35 pm
Posts: 1
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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
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bikadi
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Post subject: Re: Reproducibility Posted: Wed Apr 05, 2017 6:03 pm |
Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
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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.
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Siddhartha Kundu
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Post subject: Re: Reproducibility Posted: Sat Sep 02, 2017 9:29 am |
Joined: Thu Jul 20, 2017 4:56 am
Posts: 6
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Hi, is it possible to fix the ligand parameters such that the results are reproducible?
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bikadi
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Post subject: Re: Reproducibility Posted: Wed Sep 06, 2017 7:12 pm |
Joined: Wed Oct 29, 2008 2:24 pm
Posts: 204
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Results are reproducable with increasing number of runs and evaluations.
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