The Importance of the MM Environment and the Selection of the QM Method in QM/MM Calculations

Author:

Bushnell Eric André C.,Berryman Victoria Erica J.,Gauld James W.,Boyd Russell J.

Publisher

Elsevier

Reference138 articles.

1. Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions;Acevedo;Accounts of Chemical Research,2010

2. Molecular dynamics: Survey of methods for simulating the activity of proteins;Adcock;Chemical Reviews,2006

3. The modification of acetate and propionate side chains during the biosynthesis of haem and chlorophylls: Mechanistic and stereochemical studies;Akhtar;Ciba Foundation Symposium,1994

4. A QM/MM-based computational investigation on the catalytic mechanism of saccharopine reductase;Almasi;Molecules,2011

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