Visualization of Protein 3D Structures in 'Double-Centroid' Reduced Representation: Application to Ligand Binding Site Modeling and Screening

@inproceedings{Reyes2011VisualizationOP,
  title={Visualization of Protein 3D Structures in 'Double-Centroid' Reduced Representation: Application to Ligand Binding Site Modeling and Screening},
  author={Vicente M. Reyes and Vrunda Sheth},
  booktitle={Handbook of Research on Computational and Systems Biology},
  year={2011}
}
This article is of two parts: (a) the development of a protein reduced representation and its implementation in a Web server; and (b) the use of the reduced protein representation in the modeling of the binding site of a given ligand and the screening for the model in other protein 3D structures. Current methods of reduced protein 3D structure representation such as the Cα trace method not only lack essential molecular detail, but also ignore the chemical properties of the component amino acid… CONTINUE READING

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