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Alchemical free energy methods for drug discovery: Progress and challenges
Improved rational drug design methods are needed to lower the cost and increase the success rate of drug discovery and development. Alchemical binding free energy calculations, one potential tool for rational design, have progressed rapidly over the last decade, but still fall short of providing rob...
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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/PMC3085996/ https://ncbi.nlm.nih.gov/pubmed/21349700 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.sbi.2011.01.011 |
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