Automated docking for novel drug discovery.

@article{Bello2013AutomatedDF,
  title={Automated docking for novel drug discovery.},
  author={Martiniano Bello and Marlet Mart{\'i}nez-Archundia and Jos{\'e} Correa-Basurto},
  journal={Expert opinion on drug discovery},
  year={2013},
  volume={8 7},
  pages={
          821-34
        }
}
INTRODUCTION The volume of three-dimensional structural information of macromolecules and the number of computational tools to predict binding modes and affinities of molecular complexes are increasing daily. Molecular docking is a rational structural approach employed to predict thermodynamic parameters based on molecular recognition between two or more molecules. In addition, docking studies have become very important for therapeutic applications in modern structure-based drug design because… CONTINUE READING
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