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The correlation between the predicted binding free energies (PMF method) and the experimental ones.

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posted on 08.01.2015, 03:30 authored by Lu Chen, Lei Du-Cuny, Sylvestor Moses, Sabrina Dumas, Zuohe Song, Abdol Hossein Rezaeian, Hui-Kuan Lin, Emmanuelle J. Meuillet, Shuxing Zhang

The grey line indicates the calculated correlation between predicted and experimental binding free energies, and the black line indicates the ideal correlation. The number beside each point is the corresponding inhibitor ID.