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

Bo, Carles; Serillon, Dylan; Xavier, Barril; Bo, Carles; Serillon, Dylan; Xavier, Barril

doi:https://doi.org/10.1007/s10822-020-00370-6

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

Author

Bo, Carles

Serillon, Dylan

Xavier, Barril

Publication date

2021-01-19

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Article

Published version

Language

English

Subject

54 - Química

Pages

14 p.

Grant Agreement Number

European Union through the NOAH project (H2020-MSCA-ITN project Ref. 765297)

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Attribution-NonCommercial-NoDerivatives 4.0 International License. This license is permanently located at http://creativecommons.org/licenses/by-nc-nd/4.0/.

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

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