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Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase.

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Title: Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase.
Authors: O' Donovan DH; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom. Electronic address: daniel.odonovan@astrazeneca.com., Gregson C; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Packer MJ; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Greenwood R; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Pike KG; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Kawatkar S; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States., Bloecher A; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States., Robinson J; Discovery Sciences R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Read J; Discovery Sciences R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Code E; Discovery Sciences R&D, 35 Gatehouse Drive, Waltham, MA 02451, United States., Hsu JH; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States., Shen M; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States., Woods H; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States., Barton P; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Fillery S; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Williamson B; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Rawlins PB; Discovery Sciences R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom., Bagal SK; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.
Source: Bioorganic & medicinal chemistry letters [Bioorg Med Chem Lett] 2021 May 01; Vol. 39, pp. 127904. Date of Electronic Publication: 2021 Mar 06.
Publication Type: Journal Article
Journal Info: Publisher: Elsevier Science Ltd Country of Publication: England NLM ID: 9107377 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1464-3405 (Electronic) Linking ISSN: 0960894X NLM ISO Abbreviation: Bioorg Med Chem Lett Subsets: MEDLINE
Database: MEDLINE Ultimate
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PubType: Academic Journal
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  Data: Free energy perturbation in the design of EED ligands as inhibitors of polycomb repressive complex 2 (PRC2) methyltransferase.
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  Data: <searchLink fieldCode="AU" term="%22O'+Donovan+DH%22">O' Donovan DH</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom. Electronic address: daniel.odonovan@astrazeneca.com.<br /><searchLink fieldCode="AU" term="%22Gregson+C%22">Gregson C</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Packer+MJ%22">Packer MJ</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Greenwood+R%22">Greenwood R</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Pike+KG%22">Pike KG</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Kawatkar+S%22">Kawatkar S</searchLink>; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States.<br /><searchLink fieldCode="AU" term="%22Bloecher+A%22">Bloecher A</searchLink>; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States.<br /><searchLink fieldCode="AU" term="%22Robinson+J%22">Robinson J</searchLink>; Discovery Sciences R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Read+J%22">Read J</searchLink>; Discovery Sciences R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Code+E%22">Code E</searchLink>; Discovery Sciences R&D, 35 Gatehouse Drive, Waltham, MA 02451, United States.<br /><searchLink fieldCode="AU" term="%22Hsu+JH%22">Hsu JH</searchLink>; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States.<br /><searchLink fieldCode="AU" term="%22Shen+M%22">Shen M</searchLink>; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States.<br /><searchLink fieldCode="AU" term="%22Woods+H%22">Woods H</searchLink>; Oncology R&D, AstraZeneca, 35 Gatehouse Drive, Waltham, MA 02451, United States.<br /><searchLink fieldCode="AU" term="%22Barton+P%22">Barton P</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Fillery+S%22">Fillery S</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Williamson+B%22">Williamson B</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Rawlins+PB%22">Rawlins PB</searchLink>; Discovery Sciences R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.<br /><searchLink fieldCode="AU" term="%22Bagal+SK%22">Bagal SK</searchLink>; Oncology R&D, AstraZeneca, Cambridge CB4 0WG, United Kingdom.
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  Data: <searchLink fieldCode="JN" term="%229107377%22">Bioorganic & medicinal chemistry letters</searchLink> [Bioorg Med Chem Lett] 2021 May 01; Vol. 39, pp. 127904. <i>Date of Electronic Publication: </i>2021 Mar 06.
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