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An Efficient Computational Method for Calculating Ligand Binding Affinities
Virtual compound screening using molecular docking is widely used in the discovery of new lead compounds for drug design. However, the docking scores are not sufficiently precise to represent the protein-ligand binding affinity. Here, we developed an efficient computational method for calculating pr...
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| Autors principals: | , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Public Library of Science
2012
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3423425/ https://ncbi.nlm.nih.gov/pubmed/22916168 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0042846 |
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