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Search Results for "scoring"
There were 4 questions found for your query:
  1. questionHow can I use a different scoring function in LeadIT than the Boehm function?
    In your installation directory, you will find a subfolder example/static_dataWe have prepared several geometry*dat files there which you can tell LeadIT to use.To this end, please:Go to the dial ...

  2. questionWhy is my score so strongly geometry dependent?
    The reason for such score differences that you observe are due to an inherent problem of the FlexX scoring model rather than actually being a bug. Score differences of +/- 2 units are actually qui ...

  3. questionHowTo: Rescoring with FlexX
    Start LeadIT in commandline mode: leadit --commandlineIt is of course possible to calculate a rescoring for a given complex. You can use the command SCORE that can be found in the menu DOCKING/ANA ...

  4. questionCan I change the individual scoring function terms?
    The FlexS scoring function is derived from the Böhm empirical scoring function (H.J.Böhm, The development of a simple scoring function to estimate the binding constant for a protein-li ...

Last modified Friday, 18. May 2012 08:45 CEST by WebMaster