What is it about?
This study described the behaviour of Cathepsin D, an enzyme implicated in breast cancer, when it is bound to a drug and when it is unbound. It describes the characteristics it exhibits in order to keep the drug intact within the enzyme to exert a therapeutic effect.
Why is it important?
This study offers a different mathematical/statistical metrics that could help confirm experimental findings as well as aid the design of drugs.
Read the Original
This page is a summary of: Molecular Dynamics Simulations of Ligand-Induced Flap Conformational Changes in Cathepsin-D-A Comparative Study, Journal of Cellular Biochemistry, April 2016, Wiley,
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