Computer simulations of enzyme catalysis: methods, progress, and insights.

By A. Warshel. Annual Review of Biophysics and Biomolecular Structure, 2003

408 citations recorded by the source corpus.

Subfields: Molecular Biology

View Paper: https://www.semanticscholar.org/paper/3a084ec69ee2c75adc54870f3985774562e7f4df

How researchers see this paper

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

In Molecular Biology

1. Qiang Yao
2. Jeffrey S. Marshall
3. Shuiqing Li
4. Guanqing Liu

Citations in the corpus

• Adhesive particulate flow: The discrete-element method and its application in energy and environmental engineering (2011, methodology): “In such hybrid QM/MDmethods, the QMmethod is used for approximation of the potential function or for computation of chemical reactions occurring in small parts of the computational domain, while the more efficient MDmethod is used for determining atomic motion within the computational domain (Warshe”