Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge

Dylan Serillon, Carles Bo, Xavier Barril. Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge. Journal of Computer-Aided Molecular Design, 35(2):209-222, 2021. [doi]

Authors

Dylan Serillon

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Carles Bo

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Xavier Barril

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