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In silico screening of P,N-ligands facilitates optimization of Au(iii)-mediated S-arylation.

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Title: In silico screening of P,N-ligands facilitates optimization of Au(iii)-mediated S-arylation.
Authors: Treacy JW; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu., Tilden JAR; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu., Chao EY; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu., Fu Z; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu., Spokoyny AM; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu., Houk KN; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu., Maynard HD; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.
Source: Chemical science [Chem Sci] 2025 Jan 16; Vol. 16 (9), pp. 3878-3887. Date of Electronic Publication: 2025 Jan 16 (Print Publication: 2025).
Publication Type: Journal Article
Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101545951 Publication Model: eCollection Cited Medium: Print ISSN: 2041-6520 (Print) Linking ISSN: 20416520 NLM ISO Abbreviation: Chem Sci Subsets: PubMed not MEDLINE
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  Data: In silico screening of P,N-ligands facilitates optimization of Au(iii)-mediated S-arylation.
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  Data: <searchLink fieldCode="AU" term="%22Treacy+JW%22">Treacy JW</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.<br /><searchLink fieldCode="AU" term="%22Tilden+JAR%22">Tilden JAR</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.<br /><searchLink fieldCode="AU" term="%22Chao+EY%22">Chao EY</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.<br /><searchLink fieldCode="AU" term="%22Fu+Z%22">Fu Z</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.<br /><searchLink fieldCode="AU" term="%22Spokoyny+AM%22">Spokoyny AM</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.<br /><searchLink fieldCode="AU" term="%22Houk+KN%22">Houk KN</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.<br /><searchLink fieldCode="AU" term="%22Maynard+HD%22">Maynard HD</searchLink>; Department of Chemistry and Biochemistry and California NanoSystems Institute, University of California Los Angeles California 90095-1569 USA spokoyny@chem.ucla.edu houk@chem.ucla.edu maynard@chem.ucla.edu.
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