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Assessment of the Transferability of a Protein Force Field for the Simulation of Peptide-Surface Interactions
In order to evaluate the transferability of existing empirical force fields for all-atom molecular simulations of protein adsorption behavior, we have developed and applied a method to calculate the adsorption free energy (ΔG(ads)) of model peptides on functionalized surfaces for comparison with ava...
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| Autors principals: | , , , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2010
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2868960/ https://ncbi.nlm.nih.gov/pubmed/20222735 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/la904415d |
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