QM/MM methods for biomolecular systems.

By Hans Senn, Walter Thiel. Angewandte Chemie, 2009

2,406 citations recorded by the source corpus.

Subfields: Electrical and Electronic Engineering, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/dcf1095fe3134e063663de5bcbfa10363293244c

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Electrical and Electronic Engineering

1. Xin Li
2. Lung Wa Chung
3. Hajime Hirao
4. Klaus Schulten
5. Min Zheng
6. Aleksei Aksimentiev
7. Mark P. Waller
8. Pavel V. Afonine

In Molecular Biology

1. Seogjoo J. Jang
2. Nigel W. Moriarty
3. Pavel V. Afonine
4. Christophe Chipot
5. Benedetta Mennucci
6. John E. Stone
7. James C. Phillips
8. Emad Tajkhorshid

Citations in the corpus

• Scalable molecular dynamics on CPU and GPU architectures with NAMD. (2020, background): “188 The cost for a more detailed treatment offered by QM methods is a significant increment in the computational complexity, even for the smallest of proteins, making an ns-long full-QM MD simulation still impractical or outright prohibitive.”
• The ONIOM method: its foundation and applications to metalloenzymes and photobiology (2012, methodology): “(8) ∂E/∂RLAC = ∂E/∂RLAC + (1 − g) • ∂E/∂RLA.”
• Delocalized excitons in natural light-harvesting complexes (2018, background): “Three main groups of methods include these mutual polarization effects (Mennucci, 2013; Senn and Thiel, 2009).”