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Large scale relative protein ligand binding affinities using non-equilibrium alchemy

Crossref DOI link: https://doi.org/10.1039/C9SC03754C

Published Online: 2020

Update policy: https://doi.org/10.1039/rsc_crossmark_policy

Authors

Gapsys, Vytautas https://orcid.org/0000-0002-6761-7780
Pérez-Benito, Laura https://orcid.org/0000-0001-9607-9048
Aldeghi, Matteo https://orcid.org/0000-0003-0019-8806
Seeliger, Daniel https://orcid.org/0000-0002-4119-6068
van Vlijmen, Herman https://orcid.org/0000-0002-1915-3141
Tresadern, Gary https://orcid.org/0000-0002-4801-1644
de Groot, Bert L. https://orcid.org/0000-0003-3570-3534
Funding

Funding for this research was provided by:

Horizon 2020 Framework Programme (675451)

Alexander von Humboldt-Stiftung
License Information

Version of Record valid from 2019-12-02
More Information

SIMILARITY CHECK

: This document is Similarity Check deposited

RELATED DATA

: Supplementary Information

IDENTIFIERS

: Vytautas Gapsys (ORCID)

: Laura Pérez-Benito (ORCID)

: Matteo Aldeghi (ORCID)

: Daniel Seeliger (ORCID)

: Herman van Vlijmen (ORCID)

: Gary Tresadern (ORCID)

: Bert L. de Groot (ORCID)

PEER REVIEW METHOD

: Single-blind

PUBLICATION HISTORY

: Received 25 July 2019; Accepted 1 December 2019; Accepted Manuscript published 2 December 2019; Advance Article published 17 December 2019; Version of Record published 29 January 2020