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- Title:
Benchmarking biomolecular force field-based Zn2+ for mono- and bimetallic ligand binding sites
- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Melse, Okke ; Antes, Iris ; Kaila, Ville R. I. ; Zacharias, Martin
- Keywords:
- RESEARCH ARTICLE ; RESEARCH ARTICLES ; binding site ; dummy atom model ; metal ion model ; Metalloproteins ; zinc
- Journal title:
- Journal of Computational Chemistry
- Year:
- 2022
- Journal volume:
- 44
- Journal issue:
- 8
- Pages contribution:
- 912-926
- Fulltext / DOI:
- doi:10.1002/jcc.27052
- Publisher:
- John Wiley & Sons, Inc.
- E-ISSN:
- 0192-8651 ; 1096-987X
- Date of publication:
- 09.12.2022
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