All Categories (1-5 of 5)

1. Hands-on Teaching with Jupyter Notebooks on nanoHUB

   Online Presentations | 04 Oct 2022 | Contributor(s):: Michael Earl Reppert

   Dr. Reppert will discuss his use of nanoHUB Jupyter Notebook-based content in college Chemistry courses, focusing on nanoHUB's unique possibilities for hands-on simulation, visualization, and programming projects.

2. Two-dimensional Lattice Protein Simulator

   Tools | 24 Mar 2021 | Contributor(s):: Michael Earl Reppert

   A simulator for simple 2D lattice proteins.

3. Applying Machine Learning to Computational Chemistry: Can We Predict Molecular Properties Faster without Compromising Accuracy?

   Presentation Materials | 14 Aug 2017 | Contributor(s):: Hanjing Xu, Pradeep Kumar Gurunathan

   Non-covalent interactions are crucial in analyzing protein folding and structure, function of DNA and RNA, structures of molecular crystals and aggregates, and many other processes in the fields of biology and chemistry. However, it is time and resource consuming to calculate such interactions...

4. [Illinois] Biophysics 401 Lecture 9: Protein Folding

   Online Presentations | 22 Oct 2015 | Contributor(s):: Paul R Selvin

5. Forced Protein Unfolding

   Tools | 01 Jun 2009 | Contributor(s):: Ashlie Martini, Benjamin Rafferty, Zachary Carl Flohr

   Molecular dynamics simulation of forced protein unfolding