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Enhanced sampling simulations to construct free-energy landscape of protein–partner substrate interaction
Molecular dynamics (MD) simulations using all-atom and explicit solvent models provide valuable information on the detailed behavior of protein–partner substrate binding at the atomic level. As the power of computational resources increase, MD simulations are being used more widely and easily. Howev...
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| Publicado no: | Biophys Rev |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer Berlin Heidelberg
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5425738/ https://ncbi.nlm.nih.gov/pubmed/28510144 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s12551-015-0189-z |
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