Benchmarking biomolecular force field‐based Zn <sup>2+</sup> for mono‐ and bimetallic ligand binding sites-Reference-Cited by-同舟云学术

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Benchmarking biomolecular force field‐based Zn ²⁺ for mono‐ and bimetallic ligand binding sites

Published:2022-12-09 Issue:8 Volume:44 Page:912-926
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Melse Okke¹²^ORCID,Antes Iris¹²,Kaila Ville R. I.³,Zacharias Martin¹

Affiliation:

1. Center for Functional Protein Assemblies (CPA) Technical University of Munich Garching Germany

2. SynBiofoundry@TUM Technical University of Munich Straubing Germany

3. Department of Biochemistry and Biophysics Stockholm University Stockholm Sweden

Funder

Deutsche Forschungsgemeinschaft

Knut och Alice Wallenbergs Stiftelse

Svenska Forskningsrådet Formas

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.27052

Reference82 articles.

1. Metal–ligand interactions in drug design

2. Editorial: Advances in the Development of Artificial Metalloenzymes

3. Metal Ion Modeling Using Classical Mechanics

4. The fourth wave of biocatalysis is approaching

5. ZincBind—the database of zinc binding sites

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4. A database overview of metal-coordination distances in metalloproteins;Acta Crystallographica Section D Structural Biology;2024-04-29

5. Development of a Fluctuating Charge Model for Zinc-Containing Metalloproteins;Journal of Chemical Information and Modeling;2024-01-10

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