Please use this identifier to cite or link to this item:
https://hdl.handle.net/2440/62210
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dc.contributor.author | Joce, C. | - |
dc.contributor.author | Stahl, J. | - |
dc.contributor.author | Shridhar, M. | - |
dc.contributor.author | Hutchinson, M. | - |
dc.contributor.author | Watkins, L. | - |
dc.contributor.author | Fedichev, P. | - |
dc.contributor.author | Yin, H. | - |
dc.date.issued | 2010 | - |
dc.identifier.citation | Bioorganic and Medicinal Chemistry Letters, 2010; 20(18):5411-5413 | - |
dc.identifier.issn | 0960-894X | - |
dc.identifier.issn | 1464-3405 | - |
dc.identifier.uri | http://hdl.handle.net/2440/62210 | - |
dc.description.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. | - |
dc.description.statementofresponsibility | Catherine Joce, Joshua A. Stahl, Mitesh Shridhar, Mark R. Hutchinson, Linda R. Watkins, Peter O. Fedichev and Hang Yin | - |
dc.description.uri | http://www.elsevier.com/wps/find/journaldescription.cws_home/972/description#description | - |
dc.language.iso | en | - |
dc.publisher | Pergamon-Elsevier Science Ltd | - |
dc.rights | Copyright 2010 Elsevier Ltd. All rights reserved. | - |
dc.source.uri | http://dx.doi.org/10.1016/j.bmcl.2010.07.103 | - |
dc.subject | Virtual screening | - |
dc.subject | Protein–protein interactions | - |
dc.subject | TLR4 | - |
dc.subject | MD-2 | - |
dc.title | Application of a novel in silico high-throughput screen to identify selective inhibitors for protein-protein interactions | - |
dc.type | Journal article | - |
dc.identifier.doi | 10.1016/j.bmcl.2010.07.103 | - |
pubs.publication-status | Published | - |
dc.identifier.orcid | Hutchinson, M. [0000-0003-2154-5950] | - |
Appears in Collections: | Aurora harvest 5 Pharmacology publications |
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