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Effective Estimation of Ligand-Binding Affinity Using Biased Sampling Method
[Image: see text] The binding between two biomolecules is one of the most critical factors controlling many bioprocesses. Therefore, it is of great interest to derive a reliable method to calculate the free binding energy between two biomolecules. In this work, we have demonstrated that the binding...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6648447/ https://www.ncbi.nlm.nih.gov/pubmed/31459599 http://dx.doi.org/10.1021/acsomega.8b03258 |