A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS

By S. Weiner, Peter A. Kollman, David A. Case, U. Singh, C. Ghio, G. Alagona, S. Profeta, P. Weiner. 1984

How researchers see this paper

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

Scientific Benchmarks for Guiding Macromolecular Energy Function Improvement (2013, background): “…parameterized with experimental and quantum chemistry data from small molecules and benchmarked against experimental observables such as inter-molecular energies in the gas phase, solution phase densities, and heats of vaporization (Jorgensen, Maxwell, & Tirado-Rives, 1996; Weiner et al., 1984).”
On the inner workings of Monte Carlo codes (2013, unknown): “A few examples of popular generic force fields are AMBER,[27–31] OPLS,[32–35] AMBER/OPLS,[36–39] CHARMM,[40–42] GROMOS, [43–45] CVFF,[46] CFF,[47–49] MM2,[50–52] MM3, [53,54] MM4,[55–60] MMFF94,[61–66] DREIDING, [67] COMPASS,[68] PCFF [68] and UFF.”
R.E.D. Server: a web service for deriving RESP and ESP charges and building force field libraries for new molecules and molecular fragments (2011, unknown): “Server only enables pre-defined settings used in published charge derivation approaches (8,26,33).”