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|Title:||Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein interactions|
|Citation:||Bioorganic and Medicinal Chemistry Letters, 2010; 20(18):5411-5413|
|Publisher:||Pergamon-Elsevier Science Ltd|
|Catherine Joce, Joshua A. Stahl, Mitesh Shridhar, Mark R. Hutchinson, Linda R. Watkins, Peter O. Fedichev and Hang Yin|
|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.|
|Rights:||Copyright 2010 Elsevier Ltd. All rights reserved.|
|Appears in Collections:||Aurora harvest 5|
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