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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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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Public Library of Science
2012
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| Assuntos: | |
| Acesso em linha: | 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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