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flexx scoring algorithm  (BioSolveIT GmbH)

 
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    BioSolveIT GmbH flexx scoring algorithm
    Flexx Scoring Algorithm, 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/flexx+algorithm/flexx+scoring+algorithm/pmc07115580-357-26-22
    Average 90 stars, based on 1 article reviews
    flexx scoring algorithm - by Bioz Stars, 2026-11
    90/100 stars

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    Software:

    Article Title: Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus
    Article Snippet: .. Docking calculations within the X-ray structure of human DHFR (pdb code = 4QHV) were performed using the LeadIT 2.1.8 software suite ( www.biosolveit.com ) including the FlexX scoring algorithm which is based on calculation of the binding free energy by means of Gibbs-Helmholtz equation , , , . ..

    Article Title: Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus
    Article Snippet: .. M AN US CR IP T AC CE PT ED ACCEPTED MANUSCRIPT Docking calculations within the X-ray structure of human DHFR (pdb code = 4QHV) were performed using the LeadIT 2.1.8 software suite (www.biosolveit.com) including the FlexX scoring algorithm which is based on calculation of the binding free energy by means of Gibbs-Helmholtz equation [44-47]. ..

    Binding Assay:

    Article Title: Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus
    Article Snippet: .. Docking calculations within the X-ray structure of human DHFR (pdb code = 4QHV) were performed using the LeadIT 2.1.8 software suite ( www.biosolveit.com ) including the FlexX scoring algorithm which is based on calculation of the binding free energy by means of Gibbs-Helmholtz equation , , , . ..

    Article Title: Host dihydrofolate reductase (DHFR)-directed cycloguanil analogues endowed with activity against influenza virus and respiratory syncytial virus
    Article Snippet: .. M AN US CR IP T AC CE PT ED ACCEPTED MANUSCRIPT Docking calculations within the X-ray structure of human DHFR (pdb code = 4QHV) were performed using the LeadIT 2.1.8 software suite (www.biosolveit.com) including the FlexX scoring algorithm which is based on calculation of the binding free energy by means of Gibbs-Helmholtz equation [44-47]. ..



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    Image Search Results


    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