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Biophysical Journal|October 23, 1997
A molecular dynamics study of Fe2S2 putidaredoxin: multiple conformations of the C-terminal regionA E RoitbergChemical Science|May 17, 2017
ANI-1: an extensible neural network potential with DFT accuracy at force field computational costJ S Smith, O Isayev, A E RoitbergMethods in Enzymology|August 7, 2016
Steered Molecular Dynamics Methods Applied to Enzyme Mechanism and EnergeticsC L Ramírez, M A Martí, A E RoitbergPhysical Chemistry Chemical Physics : PCCP|November 23, 2018
Energy transfer and spatial scrambling of an exciton in a conjugated dendrimerD Ondarse-Alvarez, N Oldani, A E Roitberg, et al.Physical Review Letters|June 1, 2004
Coherent electron transport through an azobenzene molecule: a light-driven molecular switchC Zhang, M-H Du, H-P Cheng, et al.Physical Chemistry Chemical Physics : PCCP|October 7, 2016
Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistributionD Ondarse-Alvarez, S Kömürlü, A E Roitberg, et al.Insect Biochemistry and Molecular Biology|January 4, 2011
Juvenile hormone synthesis: "esterify then epoxidize" or "epoxidize then esterify"? Insights from the structural characterization of juvenile hormone acid methyltransferaseL A Defelipe, E Dolghih, A E Roitberg, et al.Pageof 1