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Determining the atomic charge of calcium ion requires the information of its coordination geometry in an EF-hand motif
It is challenging to parameterize the force field for calcium ions (Ca(2+)) in calcium-binding proteins because of their unique coordination chemistry that involves the surrounding atoms required for stability. In this work, we observed a wide variation in Ca(2+) binding loop conformations of the Ca...
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| Pubblicato in: | J Chem Phys |
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| Autori principali: | , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
AIP Publishing LLC
2021
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8097717/ https://ncbi.nlm.nih.gov/pubmed/33810667 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/5.0037517 |
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