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flexx algorithm leadit software package version 2.3.2  (BioSolveIT GmbH)

 
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    Structured Review

    BioSolveIT GmbH flexx algorithm leadit software package version 2.3.2
    Flexx Algorithm Leadit Software Package Version 2.3.2, 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/leadit+flexx/pmc06100528-111-4-11
    Average 90 stars, based on 1 article reviews
    flexx algorithm leadit software package version 2.3.2 - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    Molecular Weight:

    Article Title: Design and synthesis of new heterocyclic compounds containing 5-[(1 H -1,2,4-triazol-1-yl)methyl]-3 H -1,2,4-triazole-3-thione structure as potent hEGFR inhibitors.
    Article Snippet: FlexX (LeadIT v2.3.2, BioSolveIT GmbH, St. Augustin, Germany) and MOE (v2016.0802, Chemical Computing Group Inc., Montreal) software were used to perform modeling studies.

    Article Title: Structural Modifications of Covalent Cathepsin S Inhibitors: Impact on Affinity, Selectivity, and Permeability
    Article Snippet: J Comput Chem 1999, 20 (7), 720–729. https://doi.org/10.1002/(SICI)1096987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X. (25) LeadIT/FlexX, Version 2.3.2; GmbH, BioSolveIT.

    Article Title: Computational Approach To Evaluate The Potential Of Some Phytocompounds Of Flacourtia Jangomas Against Udp-Glf Enzyme Of Mycobacterium Tuberculosis (Mtb)
    Article Snippet: The molecular docking study was carried out with the help of the licensed version of BioSolveIT (LeadIT) FlexX 2.1.3.

    Article Title: Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach
    Article Snippet: Docking calculations were performed using FlexX suit of LeadIT 2.3.2 software, a comprehensive drug design suit (BioSolveIT, GmbH) .

    Article Title: An In-silico Study Showing Potentials of Selected Anthocyanin Derivatives against Uropathogenic E. coli Adhesin Protein
    Article Snippet: Molecular docking analysis was done to predict the binding pattern and binding energy of the novel compounds against fimH [22] using BioSolveIT (LeadIT) FlexX 2.1.3 following standard protocol.

    Solubility:

    Article Title: Design and synthesis of new heterocyclic compounds containing 5-[(1 H -1,2,4-triazol-1-yl)methyl]-3 H -1,2,4-triazole-3-thione structure as potent hEGFR inhibitors.
    Article Snippet: FlexX (LeadIT v2.3.2, BioSolveIT GmbH, St. Augustin, Germany) and MOE (v2016.0802, Chemical Computing Group Inc., Montreal) software were used to perform modeling studies.

    Article Title: Structural Modifications of Covalent Cathepsin S Inhibitors: Impact on Affinity, Selectivity, and Permeability
    Article Snippet: J Comput Chem 1999, 20 (7), 720–729. https://doi.org/10.1002/(SICI)1096987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X. (25) LeadIT/FlexX, Version 2.3.2; GmbH, BioSolveIT.

    Article Title: Computational Approach To Evaluate The Potential Of Some Phytocompounds Of Flacourtia Jangomas Against Udp-Glf Enzyme Of Mycobacterium Tuberculosis (Mtb)
    Article Snippet: The molecular docking study was carried out with the help of the licensed version of BioSolveIT (LeadIT) FlexX 2.1.3.

    Article Title: Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach
    Article Snippet: Docking calculations were performed using FlexX suit of LeadIT 2.3.2 software, a comprehensive drug design suit (BioSolveIT, GmbH) .

    Article Title: An In-silico Study Showing Potentials of Selected Anthocyanin Derivatives against Uropathogenic E. coli Adhesin Protein
    Article Snippet: Molecular docking analysis was done to predict the binding pattern and binding energy of the novel compounds against fimH [22] using BioSolveIT (LeadIT) FlexX 2.1.3 following standard protocol.

    In Vitro:

    Article Title: Design and synthesis of new heterocyclic compounds containing 5-[(1 H -1,2,4-triazol-1-yl)methyl]-3 H -1,2,4-triazole-3-thione structure as potent hEGFR inhibitors.
    Article Snippet: FlexX (LeadIT v2.3.2, BioSolveIT GmbH, St. Augustin, Germany) and MOE (v2016.0802, Chemical Computing Group Inc., Montreal) software were used to perform modeling studies.

    Article Title: Structural Modifications of Covalent Cathepsin S Inhibitors: Impact on Affinity, Selectivity, and Permeability
    Article Snippet: J Comput Chem 1999, 20 (7), 720–729. https://doi.org/10.1002/(SICI)1096987X(199905)20:7<720::AID-JCC7>3.0.CO;2-X. (25) LeadIT/FlexX, Version 2.3.2; GmbH, BioSolveIT.

    Article Title: Computational Approach To Evaluate The Potential Of Some Phytocompounds Of Flacourtia Jangomas Against Udp-Glf Enzyme Of Mycobacterium Tuberculosis (Mtb)
    Article Snippet: The molecular docking study was carried out with the help of the licensed version of BioSolveIT (LeadIT) FlexX 2.1.3.

    Article Title: Targeting allosteric binding site in methylenetetrahydrofolate dehydrogenase 2 (MTHFD2) to identify natural product inhibitors via structure-based computational approach
    Article Snippet: Docking calculations were performed using FlexX suit of LeadIT 2.3.2 software, a comprehensive drug design suit (BioSolveIT, GmbH) .

    Article Title: An In-silico Study Showing Potentials of Selected Anthocyanin Derivatives against Uropathogenic E. coli Adhesin Protein
    Article Snippet: Molecular docking analysis was done to predict the binding pattern and binding energy of the novel compounds against fimH [22] using BioSolveIT (LeadIT) FlexX 2.1.3 following standard protocol.



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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