Simulating Protein Dynamics in Solution: Bovine Pancreatic Trypsin Inhibitor
Aqueous solution provides the natural environment for protein and nucleic acid molecules. Water molecules interact with these biological macromolecules by attracting polar groups of atoms through hydrogen bonds and by repelling nonpolar groups through hydrophobic interactions. Both types of interaction have a clear effect on macromolecular stability in that intramolecular hydrogen bonding is weakened by the alternative hydrogen bonds to water and nonpolar group are forced to come together by the hydrophobic interaction.
KeywordsWater Molecule Protein Atom Rotational Relaxation Nonpolar Group Bovine Pancreatic Trypsin Inhibitor
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