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Binding affinity detection software tools | Drug discovery data analysis

Accurate prediction of binding free energy is of particular importance to computational biology and structure-based drug design. Among those methods for binding affinity predictions, the end-point approaches, such as MM/PBSA and LIE, have been widely used because they can achieve a good balance between prediction accuracy and computational cost.

Source text:
(Liu and Hou, 2016) CaFE: a tool for binding affinity prediction using end-point free energy methods. Bioinformatics.

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