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- W60778029 endingPage "373" @default.
- W60778029 startingPage "351" @default.
- W60778029 abstract "The formation of ligand-protein complexes are critical for the correct functioning of a cell. The prediction of these interactions is important for our understanding of how the cell works and for the development of new drug molecules. Homology modeling is a method for predicting the structure of a protein based on a crystal structure template. Once a model of the protein is complete, a ligand-docking algorithm predicts the ligand-protein model interaction by searching for the best steric and energetically favorable fit. A refinement of the ligand-binding pocket improves the predicted interactions by considering the flexible nature of the ligand-binding pocket. In this chapter, we describe, from first principles, methods to identify and prepare the ligand-binding pocket in a protein model, to dock the ligand, and refine the resulting complex." @default.
- W60778029 created "2016-06-24" @default.
- W60778029 creator A5003667568 @default.
- W60778029 creator A5064101943 @default.
- W60778029 date "2011-01-01" @default.
- W60778029 modified "2023-10-09" @default.
- W60778029 title "Preparation and Refinement of Model Protein–Ligand Complexes" @default.
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