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Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets.

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Title: Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets.
Authors: Raush E; Molsoft LLC, 11999 Sorrento Valley Road, San Diego, California 92121, United States., Totrov M; Molsoft LLC, 11999 Sorrento Valley Road, San Diego, California 92121, United States., Hoop CL; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States., Knowlan KM; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States., Bianchi R; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States., Tarasova NI; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States.
Source: Journal of chemical information and modeling [J Chem Inf Model] 2025 Oct 13; Vol. 65 (19), pp. 10253-10268. Date of Electronic Publication: 2025 Sep 17.
Publication Type: Journal Article
Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets.
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  Data: <searchLink fieldCode="AU" term="%22Raush+E%22">Raush E</searchLink>; Molsoft LLC, 11999 Sorrento Valley Road, San Diego, California 92121, United States.<br /><searchLink fieldCode="AU" term="%22Totrov+M%22">Totrov M</searchLink>; Molsoft LLC, 11999 Sorrento Valley Road, San Diego, California 92121, United States.<br /><searchLink fieldCode="AU" term="%22Hoop+CL%22">Hoop CL</searchLink>; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States.<br /><searchLink fieldCode="AU" term="%22Knowlan+KM%22">Knowlan KM</searchLink>; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States.<br /><searchLink fieldCode="AU" term="%22Bianchi+R%22">Bianchi R</searchLink>; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States.<br /><searchLink fieldCode="AU" term="%22Tarasova+NI%22">Tarasova NI</searchLink>; Cancer Innovation Laboratory, Center for Cancer Research, National Cancer Institute, National Institutes of Health, Frederick Maryland 21702, United States.
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  Data: <searchLink fieldCode="JN" term="%22101230060%22">Journal of chemical information and modeling</searchLink> [J Chem Inf Model] 2025 Oct 13; Vol. 65 (19), pp. 10253-10268. <i>Date of Electronic Publication: </i>2025 Sep 17.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22American+Chemical+Society%22">American Chemical Society </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101230060 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1549-960X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2215499596%22">15499596 </searchLink><i>NLM ISO Abbreviation: </i>J Chem Inf Model <i>Subsets: </i>MEDLINE
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        Value: 10.1021/acs.jcim.5c01335
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      – TitleFull: Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets.
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              Text: 2025 Oct 13
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