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Calculation of adsorption free energy for solute-surface interactions using biased replica-exchange molecular dynamics
The adsorption behavior of a biomolecule, such as a peptide or protein, to a functionalized surface is of fundamental importance for a broad range of applications in biotechnology. The adsorption free energy for these types of interactions can be determined from a molecular dynamics simulation using...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2008
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2746080/ https://ncbi.nlm.nih.gov/pubmed/19768127 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1116/1.2840054 |
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