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 - researchr publication authors

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Eko A. 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. Journal of Computer-Aided Molecular Design, 32(1):239-249, 2018. [doi]

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