Additional Data
Welcome! This site contains additional information for my poster, “QM/MM Analysis of the Reaction of DNA Polymerase κ”, presented at the Spring 2022 ACS Meeting.
2M Reaction Path
Interactive Structures (Jmol)
QSM Path QM (hydrogens not shown!)
Reactant QM
Transition State QM
Intermediate QM
Product QM
References
- Jmol: an open-source Java viewer for chemical structures in 3D. http://www.jmol.org/
- R3dmol: an R package for visualizing molecular data in 3D. https://github.com/swsoyee/r3dmol
- LICHEM Tools https://github.com/emleddin/research-scripts/tree/main/LICHEM-tools