Welcome to our tutorials and training. Each tutorial listed below is designed to be a self contained learning experience. We endeavour to provide tutorials that are free from bugs/glitches and errors, to this end we test and verify to the best of our ability. However it is inevitable that some problems escape unnoticed, should you encounter a problem, regardless of how trivial please report it to This email address is being protected from spambots. You need JavaScript enabled to view it..

Basic Skills

Python for Biomolecular Modelling

Setting up and Running Molecular Dynamics Simulations: Good Practice and Pitfalls

Software

FESetup1.2

ISAMBARD: A Python-based API for Biomolecular Structure Analysis and Parametric Design of Protein Structures

Introduction to BioSimSpace

Calculating Water Affinities in Protein Binding Sites with Grand Canonical Monte Carlo and ProtoMS

Advanced Topic - Free Energy

Free Energy Analysis

Visualising Binding Free Energies Using Swap-based Methods

Advanced Topic - Multiscale Modelling

QM/MM Modelling of Enzyme Reactions