Published July 5, 2024 | Version v1
Journal article Open

Enzyme enhancement through computational stability design targeting NMR-determined catalytic hotspots.

Creators

  • 1. University of Granada
  • 2. ROR icon Georgia Institute of Technology
  • 3. Instituto de Química Física Blas Cabrera
  • 4. Universidad de Granada
  • 5. ROR icon Uppsala University

Description

Required files to run the classical molecular dynamics and empirical valence bond (EVB) simulations performed to generate the data for the article: Enzyme enhancement through computational stability design targeting NMR-determined catalytic hotspots

Files

Classical_MD_Simulations.zip

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