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Focusing on shared subpockets - new developments in fragment-based drug discovery.
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Structure-Based Virtual Screening of Commercially Available Compound Libraries.
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ChemScreener: A Distributed Computing Tool for Scaffold based Virtual Screening.
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Enabling large-scale design, synthesis and validation of small molecule protein-protein antagonists.
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Scaffold-hopping for molecular glues targeting the 14-3-3/ERα complex.
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Computational Tools and Strategies to Develop Peptide-Based Inhibitors of Protein-Protein Interactions.
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The Groebke-Blackburn-Bienaymé Reaction.
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Scanning Protein Surfaces with DNA-Encoded Libraries.
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Rapid Discovery of Aspartyl Protease Inhibitors Using an Anchoring Approach.
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Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.
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Hitting on the move: Targeting intrinsically disordered protein states of the MDM2-p53 interaction.
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10
Artificial Macrocycles.
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Scaffold hopping via ANCHOR.QUERY: β-lactams as potent p53-MDM2 antagonists.
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Rational design and synthesis of 1,5-disubstituted tetrazoles as potent inhibitors of the MDM2-p53 interaction.
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Discovery of a Potent Allosteric Kinase Modulator by Combining Computational and Synthetic Methods.
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PocketQuery: protein-protein interaction inhibitor starting points from protein-protein interaction structure.
Nucleic Acids Res. 2012 Jul;40(Web Server issue):W387-92. doi: 10.1093/nar/gks336. Epub 2012 Apr 20.
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Chemistry and biology of multicomponent reactions.
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Enabling large-scale design, synthesis and validation of small molecule protein-protein antagonists.
PLoS One. 2012;7(3):e32839. doi: 10.1371/journal.pone.0032839. Epub 2012 Mar 12.
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Pharmer: efficient and exact pharmacophore search.
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Anchor residues in protein-protein interactions.
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Diversity of protein-protein interactions.
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"Multi-component reactions : emerging chemistry in drug discovery" 'from xylocain to crixivan'.
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