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Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene
Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of smal...
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| Pubblicato in: | Biointerphases |
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| Autori principali: | , , , , , , |
| Natura: | Artigo |
| Lingua: | Inglês |
| Pubblicazione: |
American Vacuum Society
2015
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| Soggetti: | |
| Accesso online: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4376758/ https://ncbi.nlm.nih.gov/pubmed/25818122 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1116/1.4916361 |
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