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Advanced electrostatic model for monovalent ions based on ab initio energy decomposition
Ions play important roles in the structures and functions of biomolecules. In biomolecular simulations, ions either directly interact with biomolecules or provide an ionic environment that influences electrostatic interactions of solutes. The AMOEBA+ water model has demonstrated significant advancem...
में बचाया:
| में प्रकाशित: | J Chem Inf Model |
|---|---|
| मुख्य लेखकों: | , , |
| स्वरूप: | Artigo |
| भाषा: | Inglês |
| प्रकाशित: |
2021
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| विषय: | |
| ऑनलाइन पहुंच: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8323402/ https://ncbi.nlm.nih.gov/pubmed/34096706 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.1c00426 |
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