Sire-Based Tutorials

Here are a collection of tutorials and workshops that use Sire and Sire-based applications. Through these, you can learn a bit about how to use Sire.

Calculating relative binding free energies using ligandswap

<a href="../tutorials/somd">
<div class="grid-item cw-box-wide cw-bbutton-5-4">
  <h3>MD simulations and alchemical free energy calculations using SOMD</h3>
</div>

Monte Carlo methods for biomodelling

QM/MM Monte Carlo