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  Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling

Boz, E., & Stein, M. (2021). Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. International Journal of Molecular Sciences, 22(6): 3078. doi:10.3390/ijms22063078.

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Item Permalink: https://hdl.handle.net/21.11116/0000-0008-3B6E-C Version Permalink: https://hdl.handle.net/21.11116/0000-0008-3B71-7
Genre: Journal Article

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© 2021 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license.
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 Creators:
Boz, Esra1, Author           
Stein, Matthias1, Author           
Affiliations:
1Molecular Simulations and Design, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society, ou_1738148              

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Language(s): eng - English
 Dates: 2021
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: DOI: 10.3390/ijms22063078
Other: data_escidoc:3307100
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Title: International Journal of Molecular Sciences
Source Genre: Journal
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Pages: - Volume / Issue: 22 (6) Sequence Number: 3078 Start / End Page: - Identifier: ISSN: 1422-0067