Related Experiment Video
Updated: Jan 31, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Measurements of binding thermodynamics in drug discovery
Geoffrey A Holdgate1, Walter H J Ward
1Molecular Enzymology Group, AstraZeneca, Alderley Park, Macclesfield, Cheshire SK10 4TG, UK. geoff.holdgate@astrazeneca.com
Abstract:
Thermodynamics governs the process of biomolecular recognition. The steps of characterizing, understanding and exploiting binding thermodynamics have the potential to contribute to an improved rational drug design process that is more robust and reliable. It is only relatively recently that instrumentation capable of direct and full thermodynamic characterization has been improved, giving impetus to the application of thermodynamic measurements in drug discovery. This review highlights current instruments and methods that can be employed to measure binding thermodynamics and their use in studies of biomolecular recognition and drug discovery.
Related Concept Videos
Drug Discovery: Overview
Third Law of Thermodynamics
Second Law of Thermodynamics
Second Law of Thermodynamics
First Law of Thermodynamics
First Law of Thermodynamics

