Christopher D. Von Bargen

OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space

Chao Lü, Chuanjie Wu, Delaram Ghoreishi et al. · Journal of Chemical Theory and Computation · 2021 · 1.7K citations

Autoqsar: An Automated Machine Learning Tool for Best-Practice Quantitative Structure–Activity Relationship Modeling

Steven L. Dixon, Jianxin Duan, Ethan Smith et al. · Future Medicinal Chemistry · 2016 · 181 citations

Single-Handed Helical Wrapping of Single-Walled Carbon Nanotubes by Chiral, Ionic, Semiconducting Polymers

Pravas Deria, Christopher D. Von Bargen, J. Olivier et al. · Journal of the American Chemical Society · 2013 · 75 citations

Engineering, Nanostructured Polymer, Chirality Axis +21

Engineering Complementary Hydrophobic Interactions to Control β-Hairpin Peptide Self-Assembly, Network Branching, and Hydrogel Properties

Sameer Sathaye, Huixi Zhang, Cem Sönmez et al. · Biomacromolecules · 2014 · 60 citations · Full text

Engineering, Biomimetic Materials, Max1 β-Hairpin Peptide +20

Origins of the Helical Wrapping of Phenyleneethynylene Polymers about Single-Walled Carbon Nanotubes

Christopher D. Von Bargen, Christopher M. MacDermaid, One‐Sun Lee et al. · The Journal of Physical Chemistry B · 2013 · 38 citations

Engineering, Carbon Nanotechnology, Atomistic Molecular Dynamics +24