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How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases

Authors
Publisher
Nature Publishing Group
Publication Date
Keywords
  • Molecular Docking Is The Most Commonly Used Technique In The Modern Drug Discovery Process Where Com
  • Over The Recent Years Several Evaluation Studies Have Been Reported By Independent Scientists Compar
  • Such Studies Have To Be Considered Carefully As The Docking Programs Can Be Tweaked Towards Optimum
  • In This Study We Address The Problem Of Selecting An Appropriate Docking And Scoring Function Combin
  • An Industrially Relevant Enzyme Family
  • We Also Propose The 'Key Interaction Score System' (Kiss)
  • A More Biochemically Meaningful Measure For Evaluation Of Docking Programs Based On Pose Prediction
Disciplines
  • Biology

Abstract

How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases - DTU Orbit (22/04/14) How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases - DTU Orbit (22/04/14) Udatha DBRKG, Sugaya N, Olsson L, Panagiotou G. How well do the substrates KISS the enzyme? Molecular docking program selection for feruloyl esterases. Scientific Reports. 2012;2. Available from: 10.1038/srep00323

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