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Binding Thermodynamics and Kinetics Calculations Using Chemical Host and Guest: A Comprehensive Picture of Molecular Recognition
Understanding the fine balance between changes of entropy and enthalpy and the competition between a guest and water molecules in molecular binding is crucial in fundamental studies and practical applications. Experiments provide measurements. However, illustrating the binding/unbinding processes gi...
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| Pubblicato in: | J Chem Theory Comput |
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| Autori principali: | , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
2017
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5920803/ https://ncbi.nlm.nih.gov/pubmed/29149564 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.7b00899 |
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