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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Detalles Bibliográficos
Autores principales: Mollica, Luca, Decherchi, Sergio, Zia, Syeda Rehana, Gaspari, Roberto, Cavalli, Andrea, Rocchia, Walter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2015
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4477625/
https://www.ncbi.nlm.nih.gov/pubmed/26103621
http://dx.doi.org/10.1038/srep11539

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4477625/
https://www.ncbi.nlm.nih.gov/pubmed/26103621
http://dx.doi.org/10.1038/srep11539

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