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Kinetics of protein-ligand unbinding via smoothed potential molecular dynamics simulations
Drug discovery is expensive and high-risk. Its main reasons of failure are lack of efficacy and toxicity of a drug candidate. Binding affinity for the biological target has been usually considered one of the most relevant figures of merit to judge a drug candidate along with bioavailability, selecti...
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| Publicado no: | Sci Rep |
|---|---|
| Main Authors: | , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4477625/ https://ncbi.nlm.nih.gov/pubmed/26103621 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep11539 |
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