|
|
Study of structural and mechanical properties of dendrimers
Ščudlová, Jolana ; Legut,, Dominik (referee) ; Žídek, Jan (advisor)
This thesis deals with the research on organized supermolecular structures. These structures are present in many polymeric materials. Mainly in bio-materials, they cause biological activity. Collagen fibril and dendrimers are suitable materials for molecular modeling. Collagen is natural protein with long, fibrous structure. Its fibrils show high elasticity. This property makes the material useful for certain applications. Dendrimers are synthetic macromolecules with regular and highly branched architecture. Modeling of their properties can be useful for improvement of various molecular models. The molecular structure of collagen fibril and dendrimers was studied by molecular dynamics simulations. The structures were built in the GROMACS software. Elastic deformation of collagen fibril was investigated. In case of dendrimers, shape and gyration radii were calculated from molecular models. Properties of these two materials are well described in literature. Therefore, modeling results can be compared to experimentally measured properties.
|
|
| |
|
|
Study of structural and mechanical properties of dendrimers
Ščudlová, Jolana ; Legut,, Dominik (referee) ; Žídek, Jan (advisor)
This thesis deals with the research on organized supermolecular structures. These structures are present in many polymeric materials. Mainly in bio-materials, they cause biological activity. Collagen fibril and dendrimers are suitable materials for molecular modeling. Collagen is natural protein with long, fibrous structure. Its fibrils show high elasticity. This property makes the material useful for certain applications. Dendrimers are synthetic macromolecules with regular and highly branched architecture. Modeling of their properties can be useful for improvement of various molecular models. The molecular structure of collagen fibril and dendrimers was studied by molecular dynamics simulations. The structures were built in the GROMACS software. Elastic deformation of collagen fibril was investigated. In case of dendrimers, shape and gyration radii were calculated from molecular models. Properties of these two materials are well described in literature. Therefore, modeling results can be compared to experimentally measured properties.
|
|
| |
|
| |
guest ::
