Lecture + Practical 1
PowerPoint slides – Molecules & Materials 1
Worksheet for Practical 1 – Discussion points
Educational MD tools:
- Fantastic online tool by Daniel V Schroeder to simulate simple MD – Interactive MD (The associated paper and the tool with presets)
- PheT apps by University of Colorado
Lecture + Practical 2
PowerPoint slides – Molecules & Materials 2
The lecture will be delivered by Matteo Degiacomi degiacomi.org Matteo’s group research is on molecular modeling of biomolecular systems:
“We combine molecular dynamics simulations and development of computational methods for the modeling of biomolecular systems at atomistic resolution”
This practical session will be carried out on Linux machines. Some hopefully helpful information to get acquainted:
- UNIX Tutorial for Beginners from the University of Surrey
- Linux Basics cheat sheet
- Introduction to BASH workshop (held in the School of Chemistry, University of Edinburgh, September 2019)
Worksheet for Practical 2 – PROTEIN SIMULATIONS
Lecture + Practical 3
PowerPoint slides – Molecules & Materials 3
Worksheet for Practical 3 – MATERIAL SIMULATIONS
Lecture + Practical 4
This session is dedicated to analysing the simulations and rendering appealing images. There is no course material, only your simulations from Practical 3.
If using material from this website, please acknowledge