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vivaitalia1
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Can someone give me a short description about dihedrals? for example what would be the elements of D10? or D4?
morphism said:You also need [itex]sr = rs^{-1}[/itex] in that presentation.
Dihedrals, also known as torsion angles, are angles between two planes in a molecule. They represent the rotation of one plane with respect to the other, and are often used to describe the conformation of molecules.
Dihedrals play a crucial role in understanding the 3D structure of molecules and their properties. They also provide insights into the stability and reactivity of molecules, and are important in predicting and designing molecular structures in drug discovery and material science.
Dihedrals can be calculated using the coordinates of the atoms involved in the angle. The formula for calculating dihedrals is based on the dot product of two vectors formed by the atoms. It is usually measured in degrees.
The bond types, bond lengths, and electronic structure of the atoms involved can affect dihedrals. Steric hindrance, electrostatic interactions, and hydrogen bonding can also influence dihedrals. Additionally, changes in temperature and solvent can affect the conformation and therefore the dihedrals of a molecule.
The dihedral angles in proteins, particularly in the backbone, determine the secondary structure and overall 3D shape of the protein. Understanding these angles is crucial in predicting protein folding and stability, as well as in identifying potential binding sites for ligands and substrates.