Molecular Docking Server

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