6533b82ffe1ef96bd1295e1a
RESEARCH PRODUCT
A comparative study of carboxy myoglobin in saccharide-water systems by molecular dynamics simulation.
Grazia Cottonesubject
SucroseHydrogen bondMyoglobinmyoglobin simulation conformational substates disaccharideTrehaloseWaterHydrogen BondingMaltoseSurfaces Coatings and FilmsProtein Structure Tertiarychemistry.chemical_compoundMolecular dynamicsProtein structureMolecular levelchemistryMyoglobinModels ChemicalComputational chemistryMaterials ChemistryMoleculeComputer SimulationPhysical and Theoretical ChemistryMaltosedescription
Results from room-temperature molecular dynamics simulation on a system containing carboxy-myoglobin, water, and maltose molecules are reported. Protein atomic fluctuations, protein−solvent and solvent−solvent hydrogen bonding have been analyzed and compared to the ones in trehalose−water and sucrose−water systems (Proteins 2005, 59, 291−302). Results help in rationalizing, at a molecular level, the effects of homologues disaccharides on protein structure/dynamics experimentally observed. Furthermore, the effectiveness of disaccharides in bioprotection in terms of peculiar protein−matrix coupling is also discussed.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2007-03-14 | The journal of physical chemistry. B |