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docking program flexx  (BioSolveIT GmbH)

 
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    BioSolveIT GmbH docking program flexx
    Docking Program Flexx, 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+program+flexx/flexx+docking+software/pm36430425-343-7-10
    Average 90 stars, based on 1 article reviews
    docking program flexx - by Bioz Stars, 2026-09
    90/100 stars

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    Related Articles

    Binding Assay:

    Article Title: Salicylaldehyde derivatives as new protein kinase CK2 inhibitors.
    Article Snippet: Article history: Protein kinase CK2 is a Ser/T Received 9 April 2008 Received in revised form 24 June 2008 Accepted 26 June 2008 Available online 7 July 2008

    Software:

    Article Title: Salicylaldehyde derivatives as new protein kinase CK2 inhibitors.
    Article Snippet: Article history: Protein kinase CK2 is a Ser/T Received 9 April 2008 Received in revised form 24 June 2008 Accepted 26 June 2008 Available online 7 July 2008

    Article Title: PA-6 inhibits inward rectifier currents carried by V93I and D172N gain-of-function K IR 2.1 channels, but increases channel protein expression
    Article Snippet: .. The docking program FlexX (part of the LeadIT software package version 2.0.1 (BioSolveIT GmbH, St Augustin, Germany) was used for docking. ..

    other:

    Article Title: Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
    Article Snippet: Human aldose reductase (AR, ALR2, or AKR1B1) and AKR1B10 are enzymes of biomedical interest because of their involvement in diabetes (AR) and in cancer (AR and AKR1B10).. They belong to the aldo–keto reductase superfamily (AKR) and are NADPH-dependent enzymes, folding into a highly conserved (a/b)8 barrel.. They have different substrate specificity and inhibitor selectivity due to residue differences in their three external and variable loops.

    Article Title: WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures
    Article Snippet: We gratefully acknowledge the support of BioSolveIT who provided more than 6,000 free licenses for their commercial docking program FlexX.



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    The graph is divided into two phases, depicted on the left and the right, respectively. On the left half of the chart, we describe the selection of the best receptor and docking protocol combination; snapshots from MD simulations of ~ 800 ns were clustered and centroids were examined for their ROC performance (ability to discriminate between decoys and known hits). The best performing pair was “2JFZclstr3” as the receptor (derived from the PDB structure 2JFZ, as described in the Methods section) and docking was performed with <t>FlexX</t> <t>(BiosolveIT),</t> as described in the Methods section. The flowchart on the right-hand side is the actual virtual screening protocol that employs the validated 2JFZclstr3-FlexX (receptor and docking protocol) pair, including the experimental biophysical hit validation using SPR. The screening library employed was AnalytiCon’s MEGx natural products library.
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    The graph is divided into two phases, depicted on the left and the right, respectively. On the left half of the chart, we describe the selection of the best receptor and docking protocol combination; snapshots from MD simulations of ~ 800 ns were clustered and centroids were examined for their ROC performance (ability to discriminate between decoys and known hits). The best performing pair was “2JFZclstr3” as the receptor (derived from the PDB structure 2JFZ, as described in the Methods section) and docking was performed with <t>FlexX</t> <t>(BiosolveIT),</t> as described in the Methods section. The flowchart on the right-hand side is the actual virtual screening protocol that employs the validated 2JFZclstr3-FlexX (receptor and docking protocol) pair, including the experimental biophysical hit validation using SPR. The screening library employed was AnalytiCon’s MEGx natural products library.
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    The graph is divided into two phases, depicted on the left and the right, respectively. On the left half of the chart, we describe the selection of the best receptor and docking protocol combination; snapshots from MD simulations of ~ 800 ns were clustered and centroids were examined for their ROC performance (ability to discriminate between decoys and known hits). The best performing pair was “2JFZclstr3” as the receptor (derived from the PDB structure 2JFZ, as described in the Methods section) and docking was performed with FlexX (BiosolveIT), as described in the Methods section. The flowchart on the right-hand side is the actual virtual screening protocol that employs the validated 2JFZclstr3-FlexX (receptor and docking protocol) pair, including the experimental biophysical hit validation using SPR. The screening library employed was AnalytiCon’s MEGx natural products library.

    Journal: Communications chemistry

    Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase

    doi: 10.1038/s42004-021-00605-z

    Figure Lengend Snippet: The graph is divided into two phases, depicted on the left and the right, respectively. On the left half of the chart, we describe the selection of the best receptor and docking protocol combination; snapshots from MD simulations of ~ 800 ns were clustered and centroids were examined for their ROC performance (ability to discriminate between decoys and known hits). The best performing pair was “2JFZclstr3” as the receptor (derived from the PDB structure 2JFZ, as described in the Methods section) and docking was performed with FlexX (BiosolveIT), as described in the Methods section. The flowchart on the right-hand side is the actual virtual screening protocol that employs the validated 2JFZclstr3-FlexX (receptor and docking protocol) pair, including the experimental biophysical hit validation using SPR. The screening library employed was AnalytiCon’s MEGx natural products library.

    Article Snippet: Two different docking programs where then used since each takes a different approach for ligand placement and for searching minimum energy confirmations: FlexX (part of LeadIT available from BioSolveIT GmbH) 51 – 52 and MOE 2016 38 .

    Techniques: Selection, Derivative Assay, Biomarker Discovery