A mixed quantum mechanics/molecular mechanics (QM/MM) method for large‐scale modeling of chemistry in protein environments

By Robert B. Murphy, D. Philipp, R. A. Friesner. Journal of Computational Chemistry, 2000

348 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/37cdb365b6269fddcc891c147a187342f45e581c

How researchers see this paper

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

In Atomic and Molecular Physics, and Optics

1. Hans Senn
2. Walter Thiel

In Molecular Biology

1. Walter Thiel
2. Hans Senn
3. Xin Li
4. Keiji Morokuma
5. Lung Wa Chung
6. Hajime Hirao

Citations in the corpus

• QM/MM Methods for Biological Systems (2006, methodology): “Friesner and co-workers [93] in their QM/MM scheme have re-optimized the QM van der Waals parameters against structures and bonding energies of hydrogen-bonded pairs of small models for amino acids.”