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Calculation of Crystal-Solution Dissociation Constants
The calculation of dissociation constants is an important problem in molecular biophysics. For such a calculation, it is important to correctly calculate both terms of the binding free energy; that is, the enthalpy and entropy of binding. Both these terms can be computed using molecular dynamics sim...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8961641/ https://www.ncbi.nlm.nih.gov/pubmed/35204648 http://dx.doi.org/10.3390/biom12020147 |