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Water and Protein Movements in Ligand-Receptor Interactions
I have recently developed a novel method `mutual repulsion' for simulating ligand unbindingfrom receptor. Combined with adiabatic switching,this method can evaluate the free energy change of unbinding. Mutualrepulsion has been applied to the bovine serum retinol-bindingprotein-retinol complex (...
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Kluwer Academic Publishers
2002
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| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3456665/ https://ncbi.nlm.nih.gov/pubmed/23345767 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1023/A:1019942606503 |
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