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Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital method

Crossref DOI link: https://doi.org/10.1007/s10822-021-00416-3

Published Online: 2021-08-30

Published Print: 2021-10

Update policy: https://doi.org/10.1007/springer_crossmark_policy

Authors

Lukac, Iva

Wyatt, Paul G.

Gilbert, Ian H. https://orcid.org/0000-0002-5238-1314
Zuccotto, Fabio https://orcid.org/0000-0002-3888-7423
Funding

Funding for this research was provided by:

Wellcome Trust (203134/Z/16/Z)
License Information

Text and Data Mining valid from 2021-08-30

Version of Record valid from 2021-08-30
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Article History

Received: 21 February 2021

Accepted: 9 August 2021

First Online: 30 August 2021