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Pairwise additivity of energy components in protein-ligand binding: The HIV II protease-Indinavir case
An energy expansion (binding energy decomposition into n-body interaction terms for n ≥ 2) to express the receptor-ligand binding energy for the fragmented HIV II protease-Indinavir system is described to address the role of cooperativity in ligand binding. The outcome of this energy expansion is co...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Institute of Physics
2011
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3182082/ https://ncbi.nlm.nih.gov/pubmed/21895219 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3624750 |
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