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Efficient incorporation of protein flexibility and dynamics into molecular docking simulations
Flexibility and dynamics are protein characteristics that are essential for the process of molecular recognition. Conformational changes in the protein that are coupled to ligand binding are described by the biophysical models of induced fit and conformational selection. Different concepts are revie...
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2011
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| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3172316/ https://ncbi.nlm.nih.gov/pubmed/21678954 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/bi2004558 |
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