Niel M Henriksen

ORCID

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 9

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

Journal of computer-aided molecular design

Journal of the American Chemical Society

Atomwise Inc

University of Utah (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Atomwise Inc Jul 01 2018

United States

Scientist

University of California San Diego Jul 01 2013 - Jun 30 2018

United States

Postdoctoral-Scholar :: Skaggs School of Pharmacy and Pharmaceutical Sciences

Education History

University of Utah Sep 25 2007 - Jun 01 2013

United States

PHD :: Medicinal Chemistry

Publications

Andrea Rizzi, Travis Jensen, David R Slochower, Matteo Aldeghi, Vytautas Gapsys, Dimitris Ntekoumes, Stefano Bosisio, Michail Papadourakis, Niel M Henriksen, Bert L de Groot, Zoe Cournia, Alex Dickson, Julien Michel, Michael K Gilson, Michael R Shirts, David L Mobley, John D Chodera
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations. Journal of computer-aided molecular design 34 (5) (2020)
Sophie M Kantonen, Hari S Muddana, Michael Schauperl, Niel M Henriksen, Lee-Ping Wang, Michael K Gilson
Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters. Journal of chemical theory and computation 16 (2) (2020)
Cassandra E Callmann, Clare L M LeGuyader, Spencer T Burton, Matthew P Thompson, Robert Hennis, Christopher Barback, Niel M Henriksen, Warren C Chan, Matt J Jaremko, Jin Yang, Arnold Garcia, Michael D Burkart, Michael K Gilson, Jeremiah D Momper, Paul A Bertin, Nathan C Gianneschi
Antitumor Activity of 1,18-Octadecanedioic Acid-Paclitaxel Complexed with Human Serum Albumin. Journal of the American Chemical Society 141 (30) (2019)
David R Slochower, Niel M Henriksen, Lee-Ping Wang, John D Chodera, David L Mobley, Michael K Gilson
Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative. Journal of chemical theory and computation 15 (11) (2019)
Jian Yin, Niel M Henriksen, Hari S Muddana, Michael K Gilson
Bind3P: Optimization of a Water Model Based on Host-Guest Binding Data. Journal of chemical theory and computation 14 (7) (2018)
Hamed S Hayatshahi, Niel M Henriksen, Thomas E Cheatham
Consensus Conformations of Dinucleoside Monophosphates Described with Well-Converged Molecular Dynamics Simulations. Journal of chemical theory and computation 14 (3) (2018)
Niel M Henriksen, Michael K Gilson
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 13 (9) (2017)
Germano Heinzelmann, Niel M Henriksen, Michael K Gilson
Attach-Pull-Release Calculations of Ligand Binding and Conformational Changes on the First BRD4 Bromodomain. Journal of chemical theory and computation 13 (7) (2017)
Khaleel I Assaf, Mara Florea, Jens Antony, Niel M Henriksen, Jian Yin, Andreas Hansen, Zheng-Wang Qu, Rebecca Sure, Dieter Klapstein, Michael K Gilson, Stefan Grimme, Werner M Nau
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 121 (49) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Niel M Henriksen