A microscopic model for hydrated biological tissues
The present work presents a density-functional microscopic model of soft biological tissue. The model was based on a prototype molecular structure from experimentally resolved collagen peptide residues and water clusters and has the objective to capture some well-known experimental features of soft...
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Zusammenfassung: | The present work presents a density-functional microscopic model of soft
biological tissue. The model was based on a prototype molecular structure from
experimentally resolved collagen peptide residues and water clusters and has
the objective to capture some well-known experimental features of soft tissues.
It was obtained the optimized geometry, binding and coupling energies and
dipole moments. The results concerning the stability of the confined water
clusters, the water-water and water-collagen interactions within the CLBM
framework were successfully correlated to some important trends observed
experimentally in inflammatory tissues. |
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DOI: | 10.48550/arxiv.1404.3449 |