Development of a new scoring function to predict binding affinity for HIV-1 protease
What is it about?
We used the program SAnDReS to develop HIV-1 protease targeted scoring functions for prediction of binding affinity. These scoring functions were developed using machine learning methods implemented in the program SAnDReS (www.sandres.net).
Why is it important?
This is the first time that a machine-learning model was developed to predict binding affinity for HIV-1 protease using the experimental information from an ensemble of crystallographic structures available for complexes for which binding affinity data is available.
The following have contributed to this page: Walter de Azevedo Jr.
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