Pepsin in water nanodroplet in charged mesoporous silica (Movie 2)
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 charged defects in the channels.
The water droplet adheres to the charged defects on the channel walls; 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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- Bioinorganic chemistry
- Biologically active molecules
- Biochemistry and cell biology not elsewhere classified
- Biomolecular modelling and design
- Other chemical sciences not elsewhere classified
- Computational chemistry
- Macromolecular and materials chemistry not elsewhere classified
- Nanochemistry
- Supramolecular chemistry
- Physical properties of materials
- Physical chemistry not elsewhere classified
- Theoretical and computational chemistry not elsewhere classified
- Theory and design of materials
- Proteins and peptides
Keywords
pepsinenzymesenzyme encapsulationwater nanodropletsconfined watermesoporous silicaprotein encapsulationprotein immobilizationhybrid materialsComputational Chemistrymolecular dynamics simulationBioinorganic ChemistryBiologically Active MoleculesBiochemistryBiomolecular Modelling and DesignChemical Sciences not elsewhere classifiedComputational ChemistryMacromolecular and Materials Chemistry not elsewhere classifiedNanochemistry and Supramolecular ChemistryPhysical Chemistry of MaterialsPhysical Chemistry not elsewhere classifiedTheoretical and Computational Chemistry not elsewhere classifiedTheory and Design of MaterialsProteins and Peptides
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