article Open AccessTop 1% cited
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
Nature Methods · 2016 · Vol. 14(1) · pp. 71–73
Jing Huang✉(University of Maryland, Baltimore)Sarah Rauscher(Max Planck Institute for Biophysical Chemistry)Grzegorz Nawrocki(Michigan State University)Ting Ran(University of Maryland, Baltimore)Michael Feig(Michigan State University)Bert L. de Groot(Max Planck Institute for Biophysical Chemistry)Helmut Grubmüller(Max Planck Institute for Biophysical Chemistry)Alexander D. MacKerell(University of Maryland, Baltimore)
Protein Structure and DynamicsEnzyme Structure and FunctionRNA and protein synthesis mechanismsIntrinsically disordered proteinsForce field (fiction)Molecular dynamicsChemistryBiophysicsComputational biologyComputer scienceBiologyComputational chemistryArtificial intelligence
MeSH terms
HumansHydrogen BondingProtein ConformationProtein FoldingMolecular Dynamics SimulationHydrophobic and Hydrophilic InteractionsIntrinsically Disordered Proteins
Funding
- Alexander von Humboldt-Stiftung
- National Institutes of Health
- Leibniz-Gemeinschaft
- Leibniz-Rechenzentrum
Citations
7,243
FWCI
98.69
field-weighted impact
References
38
Percentile
100%
vs. same field & year
Citations per year
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References
GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
Journal of Chemical Theory and Computation · 2008 · 15,846 citations
OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation
Journal of Chemical Theory and Computation · 2012 · 745 citations
Comparison of simple potential functions for simulating liquid water
The Journal of Chemical Physics · 1983 · 41,376 citations
Intrinsically disordered proteins in cellular signalling and regulation
Nature Reviews Molecular Cell Biology · 2014 · 2,444 citations
How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?
Biophysical Journal · 2011 · 820 citations
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ<sub>1</sub> and χ<sub>2</sub> Dihedral Angles
Journal of Chemical Theory and Computation · 2012 · 4,665 citations
Structure validation by Cα geometry: ϕ,ψ and Cβ deviation
Proteins Structure Function and Bioinformatics · 2003 · 4,581 citations
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
Journal of Computational Chemistry · 2013 · 4,321 citations
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