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Virtual Screening Using Molecular Simulations
Effective virtual screening relies on our ability to make accurate prediction of protein-ligand binding, which remains a great challenge. In this work, utilizing the molecular-mechanics Poisson-Boltzmann (or Generalized Born) Surface Area approach, we have evaluated the binding affinity of a set of...
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| Main Authors: | , , , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3092865/ https://ncbi.nlm.nih.gov/pubmed/21491494 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/prot.23018 |
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