3D drug design team

Outline of research

Observation of protein-drug interaction by using our original NMR and other experimental/theoretical method

We have analyzed protein-protein interaction and protein-drug interaction by using the NMR experiment with the original protein expression method and original NMR method. We can reconstruct the 3D-coordinates models of protein-protein/protein-drug complex structures by our original combination method of the NMR and theoretical simulation methods.

Applications

・Validation of screening hit compounds
・Modeling of protein-drug complex structure
・Lead generation by quantitative structure activity relationship(QSAR)

 

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