Researcher profile · Semantic Scholar

N. M. Henriksen

h-index: 22
Works: 34
Citations: 1,482

Most-cited papers

Overview of the SAMPL5 host–guest challenge: Are we doing better?
Jian Yin, N. M. Henriksen, David R. Slochower, M. Shirts +3 more
2016Journal of Computer-Aided Molecular Design169 citations Open access
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Highly sampled tetranucleotide and tetraloop motifs enable evaluation of common RNA force fields
Christina Bergonzo, N. M. Henriksen, D. Roe, T. Cheatham
2015RNA: A publication of the RNA Society136 citations Open access
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Multidimensional Replica Exchange Molecular Dynamics Yields a Converged Ensemble of an RNA Tetranucleotide
Christina Bergonzo, N. M. Henriksen, D. Roe, Jason M. Swails +2 more
2013Journal of Chemical Theory and Computation123 citations Open access
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Computational Calorimetry: High-Precision Calculation of Host–Guest Binding Thermodynamics
N. M. Henriksen, Andrew T. Fenley, M. Gilson
2015Journal of Chemical Theory and Computation108 citations Open access
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The SAMPL6 SAMPLing challenge: Assessing the reliability and efficiency of binding free energy calculations
A. Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi +13 more
2019bioRxiv101 citations Open access
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Bridging Calorimetry and Simulation through Precise Calculations of Cucurbituril–Guest Binding Enthalpies
Andrew T. Fenley, N. M. Henriksen, H. Muddana, M. Gilson
2014Journal of Chemical Theory and Computation91 citations Open access
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Antitumor Activity of 1,18-Octadecanedioic Acid-Paclitaxel Complexed with Human Serum Albumin
Cassandra E. Callmann, Clare L M LeGuyader, Spencer T. Burton, M. Thompson +12 more
2019Journal of the American Chemical Society78 citations Open access
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Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 Bromodomain
Germano Heinzelmann, N. M. Henriksen, M. Gilson
2017Journal of Chemical Theory and Computation63 citations Open access
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The HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host-Guest Binding of Hydrocarbons to Cucurbiturils Allowing Explicit Evaluation of Guest Hydration Free Energy Contributions
Khaleel I. Assaf, M. Florea, J. Antony, N. M. Henriksen +8 more
2017Journal of Physical Chemistry B61 citations Open access
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Reliable oligonucleotide conformational ensemble generation in explicit solvent for force field assessment using reservoir replica exchange molecular dynamics simulations
N. M. Henriksen, D. Roe, T. Cheatham
2013Journal of Physical Chemistry B61 citations Open access
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Evaluating force field performance in thermodynamic calculations of cyclodextrin host-guest binding: water models, partial charges, and host force field parameters
N. M. Henriksen, M. Gilson
2017Journal of Chemical Theory and Computation59 citations Open access
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Evaluation and Minimization of Uncertainty in ITC Binding Measurements
Samuel A. Kantonen, N. M. Henriksen, M. Gilson
2016Biochimica et Biophysica Acta - General Subjects51 citations Open access
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The SAMPL5 Host-Guest Challenge
Jian Yin, N. M. Henriksen, David R. Slochower, M. Gilson
2016Journal of Computer-Aided Molecular Design43 citations Open access
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Binding Enthalpy Calculations for a Neutral Host-Guest Pair Yield Widely Divergent Salt Effects across Water Models
Kai-Fu Gao, Jian Yin, N. M. Henriksen, Andrew T. Fenley +1 more
2015Journal of Chemical Theory and Computation40 citations Open access
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Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics
Jian Yin, Andrew T. Fenley, N. M. Henriksen, M. Gilson
2015Journal of Physical Chemistry B36 citations Open access
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Totopotensamides, Polyketide-Cyclic Peptide Hybrids from a Mollusk-Associated Bacterium Streptomyces sp
Zhen-Jian Lin, Malem S. Flores, Imelda Forteza, N. M. Henriksen +7 more
2012Journal of Natural Products33 citations Open access
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Araiosamines A–D: Tris-bromoindole Cyclic Guanidine Alkaloids from the Marine Sponge Clathria (Thalysias) araiosa
Xiaomei Wei, N. M. Henriksen, J. Skalicky, M. K. Harper +3 more
2011Journal of Organic Chemistry31 citations Open access
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Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative
David R. Slochower, N. M. Henriksen, Lee-Ping Wang, J. Chodera +2 more
2019Journal of Chemical Theory and Computation29 citations Open access
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Accounting for Apparent Deviations between Calorimetric and van’t Hoff Enthalpies
Samuel A. Kantonen, N. M. Henriksen, M. Gilson
2017bioRxiv27 citations Open access
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Consensus Conformations of Dinucleoside Monophosphates Described with Well-Converged Molecular Dynamics Simulations.
Hamed S. Hayatshahi, N. M. Henriksen, T. Cheatham
2018Journal of Chemical Theory and Computation26 citations
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Bind3P: Optimization of a Water Model Based on Host-Guest Binding Data
Jian Yin, N. M. Henriksen, H. Muddana, M. Gilson
2018Journal of Chemical Theory and Computation26 citations Open access
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Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure
N. M. Henriksen, D. R. Davis, T. Cheatham
2012Journal of Biomolecular NMR26 citations Open access
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Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters
Sophie Kantonen, H. Muddana, Michael Schauperl, N. M. Henriksen +2 more
2020Journal of Chemical Theory and Computation22 citations Open access
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The SAMPL6 SAMPLing challenge: 1 Assessing the reliability and eﬃciency 2 of binding free energy calculations 3
A. Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi +13 more
202010 citations
Semantic Scholar
Probing the orientation of inhibitor and epoxy-eicosatrienoic acid binding in the active site of soluble epoxide hydrolase
K. Lee, N. M. Henriksen, C. Ng, Jun Yang +5 more
2016Archives of Biochemistry and Biophysics10 citations Open access
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Predicting binding free energies: Frontiers and benchmarks (a perpetual review)
D. Mobley, Germano Heinzelmann, N. M. Henriksen, M. Gilson
20179 citations
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Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations
N. M. Henriksen, Hamed S. Hayatshahi, D. R. Davis, T. Cheatham
2014Journal of Chemical Information and Modeling9 citations Open access
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Optimized Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters Based on Liquid-State Data
Samuel A. Kantonen, H. Muddana, N. M. Henriksen, Lee-Ping Wang +1 more
20193 citations Open access
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Molecular dynamics re-refinement of two different small RNA loop structures using the original NMR data suggest a common structure
N. M. Henriksen, D. R. Davis, T. Cheatham
2012Journal of Biomolecular NMR1 citations Open access
Semantic Scholar
RNA structure refinement and force field evaluation using molecular dynamics simulations
N. M. Henriksen, T. Cheatham
2011TeraGrid Conference1 citations
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Edinburgh Research Explorer The SAMPL6 SAMPLing challenge
A. Rizzi, Travis Jensen, David R. Slochower, Matteo Aldeghi +14 more
20200 citations
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Molecular dynamics simulations of RNA: Providing a computational perspective to augment experimental data while addressing inherent limitations in the method
N. M. Henriksen
20130 citations
Semantic Scholar
Molecular dynamics re-refinement of domain 5 of the yeast ai5(gamma) group II intron
N. M. Henriksen, D. R. Davis, T. Cheatham
20120 citations
Semantic Scholar
Molecular dynamics re-refinement of domain 5 of the Pylaiella littoralis group II intron
N. M. Henriksen, D. R. Davis, T. Cheatham
20120 citations
Semantic Scholar

D. Mobley

×5

D. R. Davis×5

Andrew T. Fenley×4

J. Chodera×4

H. Muddana×4

M. Shirts×3

D. Roe×3

A. Rizzi×3