Limitations of non-polarizable force fields in describing anion binding poses in non-polar synthetic hosts
Transmembrane anion transport by synthetic ionophores has received increasing interest not only because of its relevance for understanding endogenous anion transport, but also because of potential implications for therapeutic routes in disease states where chloride transport is impaired. Computation...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
Royal Society of Chemistry
2023
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