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"Binding free energy predictions of farnesoid X receptor (FXR) agonists ..."

Eko Aditya Rifai et al. (2018)

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DOI: 10.1007/S10822-017-0055-0

access: open

type: Journal Article

metadata version: 2020-12-29

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  - journals/jcamd/RifaiDVG18
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  - https://dblp.org/rec/journals/jcamd/RifaiDVG18
Eko Aditya Rifai, Marc van Dijk, Nico P. E. Vermeulen, Daan P. Geerke:
Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R Grand Challenge 2. J. Comput. Aided Mol. Des. 32(1): 239-249 (2018)

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