Development and testing of a general amber force field

By Junmei Wang, R. Wolf, J. Caldwell, Peter A. Kollman, David A. Case. 2004

17,585 citations recorded by the source corpus.

Subfields: Molecular Biology, Physical and Theoretical Chemistry

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. Justin A. Lemkul
2. David L. Mobley
3. Vijay S. Pande
4. Jacob D. Durrant
5. Frank No'e
6. Alexandre M. J. J. Bonvin
7. J. Guthrie
8. Alexander D. MacKerell

In Physical and Theoretical Chemistry

1. Justin A. Lemkul
2. Alexander D. MacKerell
3. Wenbo Yu
4. Wim F. Vranken
5. A. W. Sousa da Silva
6. David L. Mobley
7. Junmei Wang
8. J. Guthrie

Citations in the corpus

• Open Babel: An open chemical toolbox (2011, methodology): “Recently, code implementing the GAFF force field [34,35] was also contributed and released as part of version 2.3.”
• From Proteins to Perturbed Hamiltonians: A Suite of Tutorials for the GROMACS-2018 Molecular Simulation Package [Article v1.0] (2019, background): “To decrease the barrier to performing these important simulations, many "general" or "drug-like" force fields exist, such as the General AMBER Force Field (GAFF) [67], CHARMM General Force Field (CGenFF) [68], and OPLS3 [69], which have well-known methodologies, parameter assignment protocols, and w”