Niel M Henriksen

10PUBLICATIONS
35CO-AUTHORS
Biomolecular modelling and designStatistical mechanics in chemistryTheoretical quantum chemistryGlycoconjugatesCharacterisation of biological macromolecules
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (10)

|Sep 23, 2026
Artificial Intelligence and Virtual Screening to Identify Small Molecules Inhibiting Transglutaminase 2 for Investigation and Treatment of Breast Cancer.

|Jan 28, 2020
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.

Andrea Rizzi, Travis Jensen, David R Slochower

|Jan 10, 2020
Data-Driven Mapping of Gas-Phase Quantum Calculations to General Force Field Lennard-Jones Parameters.

Sophie M Kantonen, Hari S Muddana, Michael Schauperl

|Oct 12, 2019
Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative.

David R Slochower, Niel M Henriksen, Lee-Ping Wang

|Jul 19, 2019
Antitumor Activity of 1,18-Octadecanedioic Acid-Paclitaxel Complexed with Human Serum Albumin.

Cassandra E Callmann, Clare L M LeGuyader, Spencer T Burton

|Jun 07, 2018
Bind3P: Optimization of a Water Model Based on Host-Guest Binding Data.

Jian Yin, Niel M Henriksen, Hari S Muddana

Pageof 2

Frequent Collaborators

8 joint publications

Michael K Gilson

2 joint publications

David L Mobley

2 joint publications

John D Chodera

2 joint publications

Lee-Ping Wang