3. QM/MM Interfacer - Membrane Systems: Oligosaccharyltransferase (6GXC)
2. QM/MM Interfacer - Solution Systems: Insulin Receptor Kinase (1IR3)
QM/MM with GROMACS+CP2K - Practical 3
Practical introduction to QM/MM using CP2K for biomolecular modelling - Session 1
Modelling Enzymes with QM/MM
Computer Exercise: QM/MM MD and Umbrella Sampling
3. EnzyDocker - Multiscale Docking to CotB2 (QM/MM scoring)
QM/MM Best Practice: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms [.]
QM/MM Best Practice: Validation of DFT functionals in QM/MM simulations of enzymatic reactions
Practical introduction to QM/MM using CP2K for biomolecular modelling - Session 2
QM/MM - chapter 1: Partition Schemes and Pitfalls
Recent Progress in QM/MM: Lectured by Dr. Massimo Olivucci
EasyHybrid TIM reaction tutorial QC MM QM MM
CompChem.07.01 Quantum Mechanical/Molecular Mechanical (QM/MM) Models Part I
QMMM
triplet Diphenylcarbene QM/MM MD
CompChem.07.03 Quantum Mechanical/Molecular Mechanical (QM/MM) Models Part III
BioExcel Webinar #51: Multiscale QM/MM: exploring chemical reactions using GROMACS/CP2K interface
oniom calculation set up in Gaussian
BioExcel Webinar #65: QM/MM Simulation of Fluorescent Proteins and Proton Dynamics
![QM/MM Best Practice: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms [.]](https://img.youtube.com/vi/8PGHcNKOLqY/0.jpg)
