Postprocessing of molecular docking poses using binding free energy calculations

  • Wichapong K
  • Sippl W
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Abstract

Over the last two decades information quality has emerged as a critical concern for most organisations. Foremost research provides several approaches to measure information quality and many case studies constantly illustrate the difficulties in assessing information quality. In this paper, we tackle the problem of assessing information quality and we propose a framework to implement information quality assessment in practice. Our framework incorporates two major components: a set of valid measurement dimensions and a measurement process. We have tested the validity, reliability and usefulness of the dimensions and applied the measurement process to an example dataset. In addition, our study demonstrates typical information quality problems in the example dataset and their potential impact to organisations.

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Wichapong, K., & Sippl, W. (2012). Postprocessing of molecular docking poses using binding free energy calculations. Journal of Cheminformatics, 4(S1). https://doi.org/10.1186/1758-2946-4-s1-p42

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