Training materials
Scientific topics: Computational chemistry or DNA methylation or Mathematics or R markdown or Sample collections
and Contributors: Ajay Pillai or Jaime Morris or Simon Bray
-
hands-on tutorial
Protein target prediction of a bioactive ligand with Align-it and ePharmaLib
•• intermediateComputational chemistry -
hands-on tutorial
Protein-ligand docking
•• intermediateComputational chemistry -
hands-on tutorial
Running molecular dynamics simulations using GROMACS
•• intermediateComputational chemistry -
hands-on tutorial
Virtual screening of the SARS-CoV-2 main protease with rxDock and pose scoring
•• intermediateComputational chemistry covid19 one-health -
hands-on tutorial
Analysis of molecular dynamics simulations
•• intermediateComputational chemistry -
hands-on tutorial
High Throughput Molecular Dynamics and Analysis
••• advancedComputational chemistry -
hands-on tutorial
Running molecular dynamics simulations using NAMD
•• intermediateComputational chemistry -
hands-on tutorial
Setting up molecular systems
•• intermediateComputational chemistry -
Notes, Scripts
MATHEMATICS BOOT CAMP: Introduction to Complex Systems Tools