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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 GilsonJournal of Chemical Theory and Computation|June 1, 2017
Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 BromodomainGermano Heinzelmann, Niel M Henriksen, Michael K GilsonBiochimica Et Biophysica Acta. General Subjects|December 10, 2017
Accounting for apparent deviations between calorimetric and van't Hoff enthalpiesSamuel A Kantonen, Niel M Henriksen, Michael K GilsonThe 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 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 CheathamBiochimica Et Biophysica Acta. General Subjects|September 7, 2016
Evaluation and Minimization of Uncertainty in ITC Binding Measurements: Heat Error, Concentration Error, Saturation, and StoichiometrySamuel A Kantonen, Niel M Henriksen, Michael K GilsonJournal of Chemical Theory and Computation|November 3, 2015
Computational Calorimetry: High-Precision Calculation of Host-Guest Binding ThermodynamicsNiel M Henriksen, Andrew T Fenley, Michael K GilsonJournal 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.Journal of Chemical Theory and Computation|June 7, 2018
Bind3P: Optimization of a Water Model Based on Host-Guest Binding DataJian Yin, Niel M Henriksen, Hari S Muddana, et al.Pageof 3