Protein dynamics tightly connected to the dynamics of surrounding and internal water molecules. |
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Authors: | Volkhard Helms |
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Affiliation: | Center for Bioinformatics, Saarland University, 66041 Saarbrücken, Germany. volkhard.helms@bioinformatik.uni-saarland.de |
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Abstract: | Proteins are key components of biological cells. For example, enzymes catalyze biochemical reactions, membrane transporters are responsible for uptake and release of critical and superfluous components from the cell environment, and structural proteins are responsible for the stability of the cell wall and cytoskeleton. Many of the diverse protein functions involve dynamic transitions ranging from small local atomic displacements up to large allosteric conformational changes. In any conformation, proteins are in contact with the universal solvent medium of cells, water. Water not only surrounds proteins but is often an integral part of proteins and also is involved in key mechanistic steps. This Minireview discusses recent experimental and theoretical results on the role of water for protein dynamics and function. |
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Keywords: | ab intio calculations hydrogen bonds molecular dynamics protein folding proteins |
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