tubo_neutro_4_sec.gif (10.84 MB)
Pepsin in water nanodroplet in neutral meosoporous silica (Movie 1)
L. Giussani, G. Tabacchi, S.Coluccia, E. Fois
International Journal of Molecular Sciences 20, 2019, 2965
The movie represents a molecular dynamics simulation
of a nanobiodroplet (pepsin in water) confined in a mesoporous silica with neutral channels.The droplet flows through the nanochannel; the protein shows no conformational changes, and the active site structure is maintained.
See also lay summary at this link
https://link.growkudos.com/1ecl6lmqt4w
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- Biochemistry and cell biology not elsewhere classified
- Bioinorganic chemistry
- Biologically active molecules
- Other chemical sciences not elsewhere classified
- Computational chemistry
- Nanochemistry
- Supramolecular chemistry
- Physical chemistry not elsewhere classified
- Physical properties of materials
- Proteins and peptides
- Theory and design of materials
- Theoretical and computational chemistry not elsewhere classified
Keywords
enzymepepsinproteinsenzyme encapsulationmolecular dynamics simulationsmesoporous silicaswater nanodropletsconfined waterBiomolecules Mesoporous materialsBiochemistryBioinorganic ChemistryBiologically Active MoleculesChemical Sciences not elsewhere classifiedComputational ChemistryNanochemistry and Supramolecular ChemistryPhysical Chemistry not elsewhere classifiedPhysical Chemistry of MaterialsProteins and PeptidesTheory and Design of MaterialsTheoretical and Computational Chemistry not elsewhere classified
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