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Updated: Sep 29, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
A flexible technology platform to explore valuable drug targets
1Lead Discovery Pharmacology, Organon Laboratories Ltd., Newhouse, Lanarkshire ML1 5SH, UK. j.connick@organon.com
Abstract:
The high-throughput screening platform implemented for drug discovery is driven by the therapeutic areas of interest. Therefore the speed and information derived is governed by these areas. Multiple technologies are needed to exploit this and it is also important to show reactivity to new advances in technology. In contrast with a drive over the last few years towards higher throughput and speed, higher information content will be instrumental in driving lead discovery in the future.
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