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Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.

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Title: Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.
Authors: Elaraby AR; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University, Kantara Branch, Ismailia, Egypt., Shahin MI; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt., Elaasser MM; The Regional Center for Mycology and Biotechnology, Al-Azhar University, Cairo, Egypt., Elsaady MT; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University, Kantara Branch, Ismailia, Egypt., Al-Ansary GH; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt., Abou El Ella DA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt., Ibrahim TM; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt. tamer_mohamad@pharm.kfs.edu.eg.; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt, Al-Sherouk City, Cairo-Suez Desert Road, Cairo, Egypt. tamer_mohamad@pharm.kfs.edu.eg.
Source: Molecular diversity [Mol Divers] 2026 Jun 28. Date of Electronic Publication: 2026 Jun 28.
Publication Type: Journal Article
Journal Info: Publisher: ESCOM Science Publishers Country of Publication: Netherlands NLM ID: 9516534 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1573-501X (Electronic) Linking ISSN: 13811991 NLM ISO Abbreviation: Mol Divers Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.
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  Data: <searchLink fieldCode="AU" term="%22Elaraby+AR%22">Elaraby AR</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University, Kantara Branch, Ismailia, Egypt.<br /><searchLink fieldCode="AU" term="%22Shahin+MI%22">Shahin MI</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Elaasser+MM%22">Elaasser MM</searchLink>; The Regional Center for Mycology and Biotechnology, Al-Azhar University, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Elsaady+MT%22">Elsaady MT</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Sinai University, Kantara Branch, Ismailia, Egypt.<br /><searchLink fieldCode="AU" term="%22Al-Ansary+GH%22">Al-Ansary GH</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Abou+El+Ella+DA%22">Abou El Ella DA</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ain Shams University, P.O. Box 11566, Abbassia, Cairo, Egypt.<br /><searchLink fieldCode="AU" term="%22Ibrahim+TM%22">Ibrahim TM</searchLink>; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, Egypt. tamer_mohamad@pharm.kfs.edu.eg.; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The British University in Egypt, Al-Sherouk City, Cairo-Suez Desert Road, Cairo, Egypt. tamer_mohamad@pharm.kfs.edu.eg.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22ESCOM+Science+Publishers%22">ESCOM Science Publishers </searchLink><i>Country of Publication: </i>Netherlands <i>NLM ID: </i>9516534 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>1573-501X (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2213811991%22">13811991 </searchLink><i>NLM ISO Abbreviation: </i>Mol Divers <i>Subsets: </i>MEDLINE
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        Value: 10.1007/s11030-026-11627-x
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      – TitleFull: Benchmarking docking and ML re-scoring screening performance for KRAS G12D in pancreatic cancer.
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            – D: 28
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              Text: 2026 Jun 28
              Type: published
              Y: 2026
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