Niel M. Henriksen, Ph.D.

2013 Medicinal Chemistry University of Utah, Salt Lake City, UT 
General Biophysics, Molecular Biology, Bioinformatics Biology
"Niel Henriksen"
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Thomas E. Cheatham grad student 2008-2013 University of Utah
 (Molecular dynamics simulations of RNA: Providing a computational perspective to augment experimental data while addressing inherent limitations in the method.)
Michael K. Gilson post-doc 2013-2018 UCSD
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Rizzi A, Jensen T, Slochower DR, et al. (2020) The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of Computer-Aided Molecular Design
Kantonen SM, Muddana HS, Schauperl M, et al. (2020) Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters. Journal of Chemical Theory and Computation
Slochower DR, Henriksen NM, Wang LP, et al. (2019) Binding thermodynamics of host-guest systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative. Journal of Chemical Theory and Computation
Callmann CE, LeGuyader CLM, Burton ST, et al. (2019) Antitumor Activity of 1,18-Octadecanedioic Acid-Paclitaxel Complexed with Human Serum Albumin. Journal of the American Chemical Society
Yin J, Henriksen NM, Muddana HS, et al. (2018) Bind3P: Optimization of a Water Model Based on Host-Guest Binding Data. Journal of Chemical Theory and Computation
Hayatshahi HS, Henriksen NM, Cheatham TE. (2018) Consensus conformations of dinucleotide monophosphates described with well-converged molecular dynamics simulations. Journal of Chemical Theory and Computation
Kantonen SA, Henriksen NM, Gilson MK. (2017) Accounting for apparent deviations between calorimetric and van't Hoff enthalpies. Biochimica Et Biophysica Acta
Assaf KI, Florea M, Antony J, et al. (2017) 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. The Journal of Physical Chemistry. B
Henriksen NM, Gilson MK. (2017) Evaluating force field performance in thermodynamic calculations of cyclodextrin host-guest binding: water models, partial charges, and host force field parameters. Journal of Chemical Theory and Computation
Heinzelmann G, Henriksen NM, Gilson MK. (2017) Attach-pull-release calculations of ligand binding and conformational changes on the first BRD4 bromodomain. Journal of Chemical Theory and Computation
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