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COMPUTER SIMULATIONS

Xanthan-Konjac Macromolecular Complex.


An insight on forces and interactions which stabilize macromolecular assemblies, from the solution complexes to the macroscopic gels, can be obtained by molecular modeling studies.


Topology Study of Stereoregular Ulvan Helices.


The resulting 'static' picture of the system can liven up by molecular dynamics simulations.

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We are applying the CHARMM and GROMACS force-fields and softwares to derive both static and dynamic molecular views for the system with the same space/time window considered by experimental investigation.


Potential Energy Surface at Different Glicosidic Linkage Conformations.