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	1.	A molecular dynamics study of Fe2S2 putidaredoxin: multiple conformations of the C-terminal region. [electronic resource] by Roitberg, A E Producer: 19971208 In: Biophysical journal vol. 73 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	2.	ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost. [electronic resource] by Smith, J S Isayev, O Roitberg, A E Publication details: Chemical science Apr 2017 In: Chemical science vol. 8 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	3.	Steered Molecular Dynamics Methods Applied to Enzyme Mechanism and Energetics. [electronic resource] by Ramírez, C L Martí, M A Roitberg, A E Producer: 20170811 In: Methods in enzymology vol. 578 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	4.	Energy transfer and spatial scrambling of an exciton in a conjugated dendrimer. [electronic resource] by Ondarse-Alvarez, D Oldani, N Roitberg, A E Kleiman, V Tretiak, S Fernandez-Alberti, S Producer: 20181217 In: Physical chemistry chemical physics : PCCP vol. 20 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	5.	Coherent electron transport through an azobenzene molecule: a light-driven molecular switch. [electronic resource] by Zhang, C Du, M-H Cheng, H-P Zhang, X-G Roitberg, A E Krause, J L Producer: 20040629 In: Physical review letters vol. 92 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	6.	Juvenile hormone synthesis: "esterify then epoxidize" or "epoxidize then esterify"? Insights from the structural characterization of juvenile hormone acid methyltransferase. [electronic resource] by Defelipe, L A Dolghih, E Roitberg, A E Nouzova, M Mayoral, J G Noriega, F G Turjanski, A G Producer: 20110613 In: Insect biochemistry and molecular biology vol. 41 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)
	7.	Ultrafast electronic energy relaxation in a conjugated dendrimer leading to inter-branch energy redistribution. [electronic resource] by Ondarse-Alvarez, D Kömürlü, S Roitberg, A E Pierdominici-Sottile, G Tretiak, S Fernandez-Alberti, S Kleiman, V D Producer: 20180129 In: Physical chemistry chemical physics : PCCP vol. 18 Online resources: Available from publisher's website Availability: No items available. Save to lists Add to cart (remove)