Comparison of multiple Amber force fields and development of improved protein backbone parameters
Hornak V, Abel R, Okur A, Strockbine B, Roitberg A, Simmerling C. Comparison of multiple Amber force fields and development of improved protein backbone parameters. Proteins Structure Function And Bioinformatics 2006, 65: 712-725. PMID: 16981200, PMCID: PMC4805110, DOI: 10.1002/prot.21123.Peer-Reviewed Original ResearchConceptsSecondary structure elementsConformational preferencesForce fieldExperimental NMR relaxation dataDihedral termsBackbone dihedralsAb initio quantum mechanical calculationsInitio quantum mechanical calculationsConformers of glycineAMBER force fieldQuantum mechanical calculationsFf99 force fieldAMBER simulation packageTested protein systemsAlpha-helicesAlanine tetrapeptideMechanical calculationsAlanine peptidesAmberBiomolecular simulationsBackbone parametersStructural elementsProtein systemsFf99Parameter settings
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