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Molecular dynamics simulations and drug discovery
This review discusses the many roles atomistic computer simulations of macromolecular (for example, protein) receptors and their associated small-molecule ligands can play in drug discovery, including the identification of cryptic or allosteric binding sites, the enhancement of traditional virtual-s...
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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
BioMed Central
2011
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3203851/ https://ncbi.nlm.nih.gov/pubmed/22035460 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1741-7007-9-71 |
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