title: Dataset - Exploring Ligand Binding to Calcitonin Gene-Related Peptide Receptors
author: Giuseppe Deganutti
description: Spervised molecular dynamics simulations (SuMD) of: -  CGRP binding to CGRPR TMD -  telcagepant binding to CGRPR ECD -  telcagepant unbinding from CGRPR ECD (Water molecules, POPC and ions removed)