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Ligand binding free-energy calculations with funnel metadynamics

Crossref DOI link: https://doi.org/10.1038/s41596-020-0342-4

Published Online: 2020-08-19

Published Print: 2020-09-01

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

Authors

Raniolo, Stefano https://orcid.org/0000-0003-4835-8696
Limongelli, Vittorio https://orcid.org/0000-0002-4861-1199
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Text and Data Mining valid from 2020-08-19

Version of Record valid from 2020-08-19
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Article History

Received: 20 October 2018

Accepted: 17 April 2020

First Online: 19 August 2020

Competing interests

: The authors declare no competing interests.