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flexx docking algorithm of the leadit environment  (BioSolveIT GmbH)

 
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    BioSolveIT GmbH flexx docking algorithm of the leadit environment
    Flexx Docking Algorithm Of The Leadit Environment, supplied by BioSolveIT GmbH, 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/product/docking+algorithms+flexx/flexx+docking+algorithm/pmc08174488-308-11-20
    Average 90 stars, based on 1 article reviews
    flexx docking algorithm of the leadit environment - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    other:

    Article Title: Identification of Novel Activators of Constitutive Androstane Receptor from FDA-approved Drugs by Integrated Computational and Biological Approaches
    Article Snippet: Docking of Retrieved Drugs to hCAR-LBD The retrieved drugs obtained by virtual screening with pharmacophore models were docked to the crystal structure of hCAR-LBD (Protein DataBank ID: 1XV9) by docking algorithms FlexX (BioSolveIT, Sankt Augustin, Germany) and Surflex (Tripos, St. Louis, MO).

    Article Title: Identification of Novel Activators of Constitutive Androstane Receptor from FDA-approved Drugs by Integrated Computational and Biological Approaches
    Article Snippet: The retrieved drugs obtained by virtual screening with pharmacophore models were docked to the crystal structure of hCAR-LBD (Protein DataBank ID: 1XV9) by docking algorithms FlexX (BioSolveIT, Sankt Augustin, Germany) and Surflex (Tripos, St. Louis, MO).



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    flexx docking algorithm of the leadit environment  (BioSolveIT GmbH)
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    BioSolveIT GmbH flexx docking algorithm of the leadit environment
    Flexx Docking Algorithm Of The Leadit Environment, supplied by BioSolveIT GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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    DPP-4 interactions with piroxicam generated using the <t>FlexX</t> <t>docking</t> algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).
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    docking algorithms flexx  (BioSolveIT GmbH)
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    DPP-4 interactions with piroxicam generated using the <t>FlexX</t> <t>docking</t> algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).
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    DPP-4 interactions with piroxicam generated using the <t>FlexX</t> <t>docking</t> algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).
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    DPP-4 interactions with piroxicam generated using the FlexX docking algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).

    Journal: Pharmaceutics

    Article Title: Repurposing of FDA-Approved NSAIDs for DPP-4 Inhibition as an Alternative for Diabetes Mellitus Treatment: Computational and in Vitro Study

    doi: 10.3390/pharmaceutics11050238

    Figure Lengend Snippet: DPP-4 interactions with piroxicam generated using the FlexX docking algorithm. ( a ) The binding pose view of piroxicam at the active site of DPP-4 and the hydrophobic surface visualized around the active site. ( b ) Binding mode of piroxicam interaction in the active site of DPP-4 (6b1E). The interacting residues are depicted with different colors: van der Waals (light green dotted line), pi–cation (orange), hydrogen bonding (dark green) and, finally, water hydrogen bond (light blue).

    Article Snippet: For this purpose, FDA-approved NSAIDs were chosen to do docking simulations using the FlexX docking algorithm [ ] provided by LeadIT software package version 2.3.2 (BioSolveIT GmbH, Sankt Augustin, Germany).

    Techniques: Generated, Binding Assay