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Journal of Biomolecular NMR|June 21, 2012
Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structureNiel M Henriksen, Darrell R Davis, Thomas E CheathamJournal of Chemical Information and Modeling|May 20, 2014
Structural and energetic analysis of 2-aminobenzimidazole inhibitors in complex with the hepatitis C virus IRES RNA using molecular dynamics simulationsNiel M Henriksen, Hamed S Hayatshahi, Darrell R Davis, et al.The Journal of Physical Chemistry. B|March 13, 2013
Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulationsNiel M Henriksen, Daniel R Roe, Thomas E CheathamJournal of Chemical Theory and Computation|January 12, 2018
Consensus Conformations of Dinucleoside Monophosphates Described with Well-Converged Molecular Dynamics SimulationsHamed S Hayatshahi, Niel M Henriksen, Thomas E CheathamRNA (New York, N.Y.)|July 1, 2015
Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fieldsChristina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.Biochimica Et Biophysica Acta|December 15, 2015
Probing the influence of hypermodified residues within the tRNA3(Lys) anticodon stem loop interacting with the A-loop primer sequence from HIV-1Rodrigo Galindo-Murillo, Darrell R Davis, Thomas E CheathamJournal of Chemical Theory and Computation|January 24, 2014
Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA TetranucleotideChristina Bergonzo, Niel M Henriksen, Daniel R Roe, et al.The Journal of Organic Chemistry|April 6, 2011
Araiosamines A-D: tris-bromoindole cyclic guanidine alkaloids from the marine sponge Clathria (Thalysias) araiosaXiaomei Wei, Niel M Henriksen, Jack J Skalicky, et al.Journal of Chemical Theory and Computation|July 12, 2017
Evaluating Force Field Performance in Thermodynamic Calculations of Cyclodextrin Host-Guest Binding: Water Models, Partial Charges, and Host Force Field ParametersNiel M Henriksen, Michael K GilsonProceedings of the National Academy of Sciences of the United States of America|April 3, 2010
Inhibitor-induced structural change in the HCV IRES domain IIa RNARyan B Paulsen, Punit P Seth, Eric E Swayze, et al.Pageof 15