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Updated: Jun 10, 2026

Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions
Published on: December 1, 2020
Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein
Catherine Joce1, Joshua A Stahl, Mitesh Shridhar
1Department of Chemistry and Biochemistry, University of Colorado at Boulder, Boulder, CO 80309, USA.
Abstract:
Increasing numbers of target protein structures available for computational studies makes the structure-based screening paradigm more attractive for initial hit indentification. We have developed a novel in silico screening methodology incorporating Molecular Mechanics (MM)/implicit solvent methods to evaluate binding free energies and applied this technology to the identification of inhibitors of the TLR4/MD-2 interaction.
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