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docking software openeye fred  (OpenEye Scientific Software Inc)

 
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    OpenEye Scientific Software Inc docking software openeye fred
    Docking Software Openeye Fred, supplied by OpenEye Scientific Software Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/result/docking software openeye fred/product/OpenEye Scientific Software Inc
    Average 90 stars, based on 1 article reviews
    docking software openeye fred - by Bioz Stars, 2026-03
    90/100 stars

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    molecular docking openeye fred docking software  (OpenEye Scientific Software Inc)
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    CID 1067700 docked in the nucleotide binding site of Rab7 in the (a–b) GDP-bound (PDB 1VG9) and (c–d) (GNP)- bound (PDB 1VG8) conformations. <t>Molecular</t> <t>docking</t> carried out using <t>Fred</t> docking <t>software.</t> Both GTP or GDP and CID 1067700 are shown simultaneously docked in the pocket for purposes of comparing their orientations in the pocket. Interaction maps for (e–f) Rab7-GDP vs. CID 1067700 and (g–h) Rab7-GNP vs. CID 1067700 illustrate differences in number and sites of interaction.
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    CID 1067700 docked in the nucleotide binding site of Rab7 in the (a–b) GDP-bound (PDB 1VG9) and (c–d) (GNP)- bound (PDB 1VG8) conformations. Molecular docking carried out using Fred docking software. Both GTP or GDP and CID 1067700 are shown simultaneously docked in the pocket for purposes of comparing their orientations in the pocket. Interaction maps for (e–f) Rab7-GDP vs. CID 1067700 and (g–h) Rab7-GNP vs. CID 1067700 illustrate differences in number and sites of interaction.

    Journal: ACS chemical biology

    Article Title: A Competitive Nucleotide Binding Inhibitor: In vitro Characterization of Rab7 GTPase Inhibition

    doi: 10.1021/cb3001099

    Figure Lengend Snippet: CID 1067700 docked in the nucleotide binding site of Rab7 in the (a–b) GDP-bound (PDB 1VG9) and (c–d) (GNP)- bound (PDB 1VG8) conformations. Molecular docking carried out using Fred docking software. Both GTP or GDP and CID 1067700 are shown simultaneously docked in the pocket for purposes of comparing their orientations in the pocket. Interaction maps for (e–f) Rab7-GDP vs. CID 1067700 and (g–h) Rab7-GNP vs. CID 1067700 illustrate differences in number and sites of interaction.

    Article Snippet: Molecular docking of CID 1067700 on Rab7wt GDP and GTP bound crystal structures shows optimal binding to the nucleotide binding pocket of the GTP-conformer The molecular docking of CID 1067700 to the nucleotide binding site of Rab7 as predicted by the experimental data was examined using molecular docking OpenEye Fred docking software ( ).

    Techniques: Binding Assay, Software