Metadynamics supports molecular dynamics simulation-based binding affinities of eucalyptol and beta-cyclodextrin inclusion complexes
© The Royal Society of Chemistry. The development of various molecular dynamics methods enables the detailed investigation of association processes, like host-guest complexes, including their dynamics and, additionally, the release of the guest compound. As an example of the application of such meth...
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| Main Authors: | , , , , |
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| 格式: | 雜誌 |
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2018
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| 在線閱讀: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85032972173&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/56946 |
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