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Rational design 2- 1st part of the course

Università degli Studi di Milano molecular biotechnology and bioinformatics - biotecnologie molecolari e bioinformatica 2021
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  • Work \(W\) is not a state function because it depends on the path taken, while enthalpy \(\Delta H\) can be a state function as it sums internal energy and product of pressure and volume, which are state functions.
  • \(\Delta S\) cannot be expressed solely as \(q/T\) since state functions must equal other state functions. The change in internal energy \(\Delta U\) is a state function due to the Joule experiment showing its dependence on temperature only, a state variable.
  • Non-covalent interactions (NCIs) include spatial arrangement of atoms and bonds, coordination geometries, around-state charge density, electrostatic potential. X-ray diffraction methods are used for structure determination but suffer from crystallization issues and radiation damage, providing static images of samples.

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