Binding free energy predictions of farnesoid X receptor...

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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

Rifai, Eko Aditya, van Dijk, Marc, Vermeulen, Nico P. E., Geerke, Daan P.
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Language:
english
Journal:
Journal of Computer-Aided Molecular Design
DOI:
10.1007/s10822-017-0055-0
Date:
September, 2017
File:
PDF, 1.98 MB
english, 2017
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