Niel M. Henriksen

According to our database, Niel M. Henriksen authored at least 5 papers between 2011 and 2020.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of five.

2020

The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.

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

J. Comput. Aided Mol. Des., 2020

2017

Overview adcm43.bhtof the SAMPL5 host-guest challenge: Are we doing better?

Jian Yin, Niel M. Henriksen, David R. Slochower, Michael R. Shirts, Michael Chiu, David L. Mobley, Michael K. Gilson

J. Comput. Aided Mol. Des., 2017

The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method.

Jian Yin, Niel M. Henriksen, David R. Slochower, Michael K. Gilson

J. Comput. Aided Mol. Des., 2017

2014

Structural and Energetic Analysis of 2-Aminobenzimidazole Inhibitors in Complex with the Hepatitis C Virus IRES RNA Using Molecular Dynamics Simulations.

Niel M. Henriksen, Hamed S. Hayatshahi, Darrell R. Davis, Thomas E. Cheatham III

J. Chem. Inf. Model., 2014

2011

RNA structure refinement and force field evaluation using molecular dynamics simulations.

Niel M. Henriksen, Thomas E. Cheatham III

Proceedings of the 2011 TeraGrid Conference - Extreme Digital Discovery, 2011