Niel M. Henriksen, Ph.D.
Affiliations: | 2013 | Medicinal Chemistry | University of Utah, Salt Lake City, UT |
Area:
General Biophysics, Molecular Biology, Bioinformatics BiologyGoogle:
"Niel Henriksen"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| 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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Publications
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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 |