Computational design of syntheses leading to compound libraries or isotopically labelled targets

Chemical Science ◽

10.1039/c9sc02678a ◽

2019 ◽

Vol 10 (40) ◽

pp. 9219-9232 ◽

Author(s):

Karol Molga ◽

Piotr Dittwald ◽

Bartosz A. Grzybowski

Keyword(s):

Computational Design ◽

Large Graphs ◽

Network Search ◽

Compound Libraries ◽

Search Graph ◽

Network-search routines over large graphs of retrosynthetic scenarios are adapted to multi-target design operating on one common search graph enabling design of syntheses of compound libraries or isotopically labelled targets.

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One-bead-one-compound libraries for the elucidation of unknown IgE target specificities in allergic diseases

10.26226/morressier.5acdc65dd462b8029238dbfb ◽

2018 ◽

Author(s):

Thorsten Krause

Keyword(s):

Allergic Diseases ◽

Compound Libraries

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Target design & fabrication

Physics Subject Headings (PhySH) ◽

10.29172/17e985e4-5274-418e-953c-66b0458bde5c ◽

2018 ◽

Keyword(s):

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Faculty Opinions recommendation of Development of a virtual screening method for identification of "frequent hitters" in compound libraries.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1004071.46608 ◽

2002 ◽

Author(s):

Dennis Hall

Keyword(s):

Virtual Screening ◽

Screening Method ◽

Compound Libraries

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Faculty Opinions recommendation of Converting a maltose receptor into a nascent binuclear copper oxygenase by computational design.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1004744.54007 ◽

2002 ◽

Author(s):

Wolf B Frommer

Keyword(s):

Computational Design ◽

Binuclear Copper

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Faculty Opinions recommendation of Computational design of a new hydrogen bond network and at least a 300-fold specificity switch at a protein-protein interface.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1011316.388876 ◽

2006 ◽

Author(s):

Brian Kuhlman

Keyword(s):

Hydrogen Bond ◽

Computational Design ◽

Protein Interface ◽

Hydrogen Bond Network ◽

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Faculty Opinions recommendation of Synthetic compound libraries displayed on the surface of encoded bacteriophage.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1015149.198560 ◽

2003 ◽

Author(s):

Burckhard Seelig

Keyword(s):

Synthetic Compound ◽

Compound Libraries

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Faculty Opinions recommendation of Synthetic compound libraries displayed on the surface of encoded bacteriophage.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1015149.197962 ◽

2003 ◽

Author(s):

David Newman

Keyword(s):

Synthetic Compound ◽

Compound Libraries

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Faculty Opinions recommendation of Computational design and experimental validation of oligonucleotide-sensing allosteric ribozymes.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1029085.343534 ◽

2005 ◽

Author(s):

Andres Jaschke

Keyword(s):

Experimental Validation ◽

Computational Design

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Faculty Opinions recommendation of Computational design of proteins targeting the conserved stem region of influenza hemagglutinin.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.10719956.12117055 ◽

2011 ◽

Author(s):

Nicholas Meanwell ◽

Kap-Sun Yeung

Keyword(s):

Computational Design ◽

Influenza Hemagglutinin

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Faculty Opinions recommendation of Fluorescence spectroscopic profiling of compound libraries.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1108097.564082 ◽

2008 ◽

Author(s):

Ronald Magolda

Keyword(s):

Compound Libraries

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