Journal of Integrative Natural Science (통합자연과학논문집)

The Basic Science Institute Chosun University (조선대학교 기초과학연구원)
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Application of Docking Methods: An Effective In Silico Tool for Drug Design

  • Kulkarni, Seema (Department of Bioinformatics, SRM University, SRM Nagar, Kattankulathur Chennai) ;
  • Madhavan, Thirumurthy (Department of Bioinformatics, SRM University, SRM Nagar, Kattankulathur Chennai)
  • Received : 2013.03.03
  • Accepted : 2013.06.24
  • Published : 2013.06.30
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Abstract

Using computational approaches we can dock small molecules into the structures of Macromolecular targets and then score their potential complementarity to binding sites is widely used in hit identification and lead optimization techniques. This review seeks to provide the application of docking in structure-based drug design (binding mode prediction, Lead Identification and Lead optimization), and also discussed how to manage errors in docking methodology in order to overcome certain limitations of docking and scoring algorithm.

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