CHISHIKI

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

Conference website

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.

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