Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology.

By Marc W. van der Kamp, A. Mulholland. Biochemistry, 2013

555 citations recorded by the source corpus.

Subfields: Molecular Biology

View Paper: https://www.semanticscholar.org/paper/1fac76828c82c5c8e9852007cf4582b356c22742

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In Molecular Biology

1. Christophe Chipot
2. John E. Stone
3. James C. Phillips
4. Emad Tajkhorshid
5. Aleksei Aksimentiev
6. J'erome H'enin
7. David J. Hardy
8. Laxmikant V. Kalé

Citations in the corpus

• Scalable molecular dynamics on CPU and GPU architectures with NAMD. (2020, background): “200 In addition, polarization effects have also been the focus of QM/MM simulations.”