"Using physics-based pose predictions and free energy perturbation ..."

Christina Athanasiou et al. (2018)

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DOI: 10.1007/S10822-017-0075-9

access: closed

type: Journal Article

metadata version: 2020-04-16

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  - https://dblp.org/rec/journals/jcamd/AthanasiouVDC18
Christina Athanasiou, Sofia Vasilakaki, Dimitris Dellis, Zoe Cournia:
Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2. J. Comput. Aided Mol. Des. 32(1): 21-44 (2018)

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