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Computation of the absolute binding free energy using PMF-based routine.

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posted on 2015-01-08, 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

Computation of the absolute binding free energy using PMF-based routine.

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    PLOS Computational Biology

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    Keywords

    breast cancer therapyGAB 1 Pleckstrin Homology Domainligand binding affinitiesbreast cancer cellsNovel Inhibitors InduceT 47D breast cancer cell lineskdGAB 1 PH domainGAB 1

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