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Accelerated Adaptive Integration Method
[Image: see text] Conformational changes that occur upon ligand binding may be too slow to observe on the time scales routinely accessible using molecular dynamics simulations. The adaptive integration method (AIM) leverages the notion that when a ligand is either fully coupled or decoupled, accordi...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
American Chemical
Society
2014
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| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4025579/ https://ncbi.nlm.nih.gov/pubmed/24780083 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp502358y |
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