Platform Technology
Beyond the Happy Water
By Ben Tehan | Apr 11, 2018
Conference
“Structure-Activity Relationships”
11-12 April 2018
University of Cardiff
UK QSAR and Cheminformatics Group
Abstract
Beyond the Happy Water – recent advances in the quantification of contributions
Ben Tehan, Heptares Therapeutics
Water molecules and their networks are now recognized to have crucial functions for both proteins and ligands alike. Here we will be highlighting how water and its perturbation and displacement affects the mediation, strength and selectivity of ligand binding. Showing retrospectively where different techniques and levels of analyses have explained SAR which had previously confounded us, and prospectively how we use these techniques for drug discovery.