CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes

CHARMM force field parameters for simulation of reactive intermediates in native and thio-substituted ribozymes

Force field parameters specifically optimized for residues important in the study of RNA catalysis are derived from density-functional calculations, in a fashion consistent with the CHARMM27 all-atom empirical force field. Parameters are presented for residues that model reactive RNA intermediates a...

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Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 28(2007), 2 vom: 30. Jan., Seite 495-507
1. Verfasser: Mayaan, Evelyn (VerfasserIn)
Weitere Verfasser: Moser, Adam, MacKerell, Alexander D Jr, York, Darrin M
Format: Aufsatz
Sprache:English
Veröffentlicht: 2007
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, N.I.H., Extramural Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S. Hydroxides Ligands RNA, Catalytic Sulfhydryl Compounds hydroxide ion 9159UV381P mehr... Magnesium I38ZP9992A