Modelling Enzymes with QM/MM
Introduction to the use of combined quantum mechanics/molecular mechanics (QM/MM) methods for modelling enzyme-catalysed reaction mechanisms, by Marc van der Kamp (University of Bristol). Recorded at the CCPBioSim Training Week, October 2020.
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DL_MESO
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QMMM
![QM/MM Best Practice: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms [.]](https://i.ytimg.com/vi/8PGHcNKOLqY/hqdefault.jpg?sqp=-oaymwEjCNACELwBSFryq4qpAxUIARUAAAAAGAElAADIQj0AgKJDeAE=&rs=AOn4CLAoP0tG0qRsX3WMapZmhX7nkOlnJA)
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QM/MM Best Practice: Towards chemical accuracy in QM/MM modelling of enzyme catalytic mechanisms [.]
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