Completed
Acknowledgements
Class Central Classrooms beta
YouTube videos curated by Class Central.
Classroom Contents
MD Simulations and Machine Learning to Quantify Interfacial Hydrophobicity
Automatically move to the next video in the Classroom when playback concludes
- 1 Intro
- 2 Combining Molecular Dynamics Simulations and Learning to Quantify Interfacial Hydrophobic
- 3 Motivation: Hydrophobicity of idealized and real interfaces
- 4 Hydration free energy of cavity as descriptor of hydrophobicity
- 5 Density matrices - orientation information
- 6 Density matrices-performance compariso
- 7 Hydrogen bond graphs
- 8 Topological data analysis
- 9 Euler Characteristic is stable
- 10 Human-selected water order parameters
- 11 Feature selection with LASSO regression
- 12 Analysis of important features
- 13 Acknowledgements
