Force Field Independent Metal Parameters Using a Nonbonded Dummy Model
Author:
Affiliation:
1. Department of Cell and Molecular Biology, Uppsala University, BMC Box 596, S-751 24 Uppsala, Sweden
Funder
European Research Council
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp501737x
Reference95 articles.
1. Metal ions in biological catalysis: from enzyme databases to general principles
2. Active-site zinc ligands and activated H2O of zinc enzymes.
3. Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
4. The effect of divalent metal ions on the rate and transition-state structure of phosphoryl-transfer reactions
5. Manganese-Substituted Carbonic Anhydrase as a New Peroxidase
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