Computational Methods
Molecular Modelling and Quantum Chemistry
- Gaussian 09 and 16
- Schrödinger MacroModel 9.8
- Amber 24
- ORCA
- ADF 2013
- TurboMole 7
- xtb
- Biovia Materials Studio
Visualization
- CCDC Mercury 3.0
- Schrödinger Maestro 9.3
- Strata 3D CX5 & Strata 3D CX7
- PyMOL 1.3
- VMD 1.9.1
- QuteMol
