Project information
Specific ion effects for proteins in solutions and related biologically relevant systems
- Project Identification
- GA203/08/0114
- Project Period
- 1/2008 - 12/2012
- Investor / Pogramme / Project type
-
Czech Science Foundation
- Standard Projects
- MU Faculty or unit
- Faculty of Science
- Keywords
- salt ions, enzymatic reactions, membranes, molecular dynamics, fluorescence spectroscopy
- Cooperating Organization
-
J. Heyrovský Institute of Physical Chemistry of the ASCR, v. v. i.
- Responsible person doc. Martin Hof, Dr.
- Responsible person Doc. Mgr. Pavel Jungwirth, CSc.
- Responsible person Doc. RNDr. Rüdiger Ettrich, Ph.D.
The mechanism of hydration of ions and interaction of ions with biomolecules play an important role in many natural and biotechnological processes. We plan within this proposal to combine computational and experimental tools with the aim to obtain a fundamental molecular understanding of these reactions. We will focus on ion specific interactions with proteins in aqueous and non-aqueous solutions and at lipid membranes. Carefully designed molecular dynamics simulations and experiments will allow us in the end to formulate general rules for interactions of biologically relevant ions with solvated proteins and membranes, as well as rationalize ion effects on the activity of enzymes.
Publications
Total number of publications: 37
2014
-
Retro operation on the Trp-cage miniprotein sequence produces an unstructured molecule capable of folding similar to the original only upon 2,2,2-trifluoroethanol addition
PROTEIN ENGINEERING DESIGN & SELECTION, year: 2014, volume: 27, edition: 12, DOI
2013
-
Engineering Enzyme Stability and Resistance to an Organic Cosolvent by Modification of Residues in the Access Tunnel
Angewandte Chemie International Edition, year: 2013, volume: 52, edition: 7, DOI
-
Expansion of Access Tunnels and Active-Site Cavities Influence Activity of Haloalkane Dehalogenases in Organic Cosolvents.
ChemBioChem, year: 2013, volume: 14, edition: 7, DOI
-
Haloalkane dehalogenases: Biotechnological applications
Biotechnology Journal, year: 2013, volume: 8, edition: 1, DOI
-
Interaction of Organic Solvents with Protein Structures at Protein-Solvent Interface
Journal of Molecular Modeling, year: 2013, volume: 19, edition: 11, DOI
-
Novosphingobium barchaimii sp nov., isolated from hexachlorocyclohexane-contaminated soil
International Journal of Systematic and Evolutionary Microbiology, year: 2013, volume: 63, edition: Part 2, DOI
-
Organic Co-solvents Affect Activity, Stability and Enantioselectivity of Haloalkane Dehalogenases
Biotechnology Journal, year: 2013, volume: 8, edition: 6, DOI
-
Sphingobium baderi sp nov., isolated from a hexachlorocyclohexane dump site
International Journal of Systematic and Evolutionary Microbiology, year: 2013, volume: 63, edition: Part 2, DOI
-
Sphingobium czechense sp nov., isolated from a hexachlorocyclohexane dump site
International Journal of Systematic and Evolutionary Microbiology, year: 2013, volume: 63, edition: Part 2, DOI
2011
-
Computer-Assisted Enzyme Engineering by Modification of Tunnels, Channels and Gates.
Year: 2011, type: Appeared in Conference without Proceedings