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Using AMBER18 for Relative Free Energy Calculations
With renewed interest in free energy methods in contemporary structure-based drug design there is a pressing need to validate against multiple targets and force fields to assess the overall ability of these methods to accurately predict relative binding free energies. We computed relative binding fr...
Tallennettuna:
| Julkaisussa: | J Chem Inf Model |
|---|---|
| Päätekijät: | , , , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
2019
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7371000/ https://ncbi.nlm.nih.gov/pubmed/31244091 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00105 |
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