'Drug docking' presentation slideshows

drug docking

The interactions between proteins and other molecules play important roles in various biological processes, including gene transcription and expression, metabolic regulation, signal transduction, and cell communication. Knowing structural aspects of a protein complexed with its binding partner can help understand the mechanism of such interaction and thus is important for drug discovery and development. However, it remains difficult and expensive to obtain complex structures by experimental methods, such as X-ray crystallography or NMR. Thus, computational docking is considered an important approach to predicting the three-dimensional structures of these interacting partners.

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