Utilize este identificador para referenciar este registo:
https://hdl.handle.net/1822/13453
Título: | Adsorption of homopolypeptides on gold investigated using atomistic molecular dynamics |
Autor(es): | Vila Verde, A. Beltramo, Peter J. Maranas, Janna K. |
Palavras-chave: | Peptide adsorption Gold binding peptides Homopolypeptides All-atom molecular dynamics simulations Peptide flexibility Peptide stability |
Data: | 2011 |
Editora: | ACS Publications |
Revista: | Langmuir |
Resumo(s): | We investigate the role of dynamics on adsorption of peptides to gold surfaces using all-atom molecular dynamics simulations in explicit solvent. We choose six homopolypeptides [Ala 10 , Ser 10 , Thr 10 , Arg 10 , Lys 10 , and Gln 10 ], for which experimental surface coverages are not correlated with amino acid level affinities for gold, with the idea that dynamic properties may also play a role. To assess dynamics we determine both conformational movement and flexibility of the peptide within a given conformation. Low conformational movement indicates stability of a given conformation and leads to less adsorption than homopolypeptides with faster conformational movement. Likewise, low flexibility within a given conformation also leads to less adsorption. Neither amino acid affinities nor dynamic considerations alone predict surface coverage; rather both quantities must be considered in peptide adsorption to gold surfaces. |
Tipo: | Artigo |
URI: | https://hdl.handle.net/1822/13453 |
DOI: | 10.1021/la104814z |
ISSN: | 0743-7463 |
Arbitragem científica: | yes |
Acesso: | Acesso aberto |
Aparece nas coleções: | CDF - FCT - Artigos/Papers (with refereeing) |
Ficheiros deste registo:
Ficheiro | Descrição | Tamanho | Formato | |
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repos-AC5.pdf | L2011 | 2,27 MB | Adobe PDF | Ver/Abrir |