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Correction Schemes for Absolute Binding Free Energies Involving Lipid Bilayers
[Image: see text] Absolute binding free-energy (ABFE) calculations are playing an increasing role in drug design, especially as they can be performed on a range of disparate compounds and direct comparisons between them can be made. It is, however, especially important to ensure that they are as acc...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9082507/ https://www.ncbi.nlm.nih.gov/pubmed/35315270 http://dx.doi.org/10.1021/acs.jctc.1c01251 |