Improved treatment of the protein backbone in empirical force fields.

By Alexander D. MacKerell, Michael Feig, Charles L. Brooks III. Journal of the American Chemical Society, 2004

929 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Physical and Theoretical Chemistry

View Paper: https://www.semanticscholar.org/paper/1cbd44ec0c8ecbe8eb6c59fa2ff08e842aaed6e8

How researchers see this paper

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

In Materials Chemistry

1. Eric J. Sorin
2. Adrian E. Roitberg
3. Vijay S. Pande
4. Carlos Simmerling
5. Frank No'e
6. Kyle Swanson
7. Nathan Oken Hodas
8. Abhinav Vishnu

In Molecular Biology

1. Eric J. Sorin
2. Carlos Simmerling
3. Robert Abel
4. Adrian E. Roitberg
5. Vijay S. Pande
6. Viktor Hornak
7. Asim Okur
8. Bentley Strockbine

In Physical and Theoretical Chemistry

1. Adrian E. Roitberg
2. Eric J. Sorin
3. Vijay S. Pande

Citations in the corpus

• Exploring the helix-coil transition via all-atom equilibrium ensemble simulations. (2005, background): “which reported grid based corrections to the (φ,ψ) potential for the CHARMM22 force field (Mackerell et al. 2004; MacKerell et al. 2004).”
• Comparison of multiple Amber force fields and development of improved protein backbone parameters (2006, result): “Similar efforts have recently been reported by Mac-Kerell et al., 25 improving the backbone parameters in the Charmm force field, specifically removing the bias toward p -helical peptide conformations.”