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

Summary

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Authors: Dylan Serillon, Carles Bo, Xavier Barril

Journal title: Journal of Computer-Aided Molecular Design

Journal publisher: Kluwer Academic Publishers

Published year: 2021

DOI identifier: 10.1007/s10822-020-00370-6

ISSN: 0920-654X