docking programs flexx (part of leadit) (BioSolveIT GmbH)
90
Structured Review
BioSolveIT GmbH
docking programs flexx (part of leadit)
Docking Programs Flexx (Part Of Leadit), 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+program/flexx+docking+software/pmc09169614-491-22-28
Average 90 stars, based on 1 article reviews
Docking Programs Flexx (Part Of Leadit), 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+program/flexx+docking+software/pmc09169614-491-22-28
Average 90 stars, based on 1 article reviews
docking programs flexx (part of leadit) - by Bioz Stars,
2026-10
90/100 stars
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1) Product Images from "Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase"
Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase
Journal: Communications chemistry
doi: 10.1038/s42004-021-00605-z
Figure Legend 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.
Techniques Used: Selection, Derivative Assay, Biomarker Discovery
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Derivative Assay:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the Selection:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the Biomarker Discovery:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the Drug discovery:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the In Silico:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the Control:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the Standard Deviation:Article Title: Decrypting a Cryptic Allosteric Pocket in H. pylori Glutamate Racemase Article Snippet: 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 Article Title: Crystallographic Fragment Screening on the Shigella Type III Secretion System Chaperone IpgC Article Snippet: In the next step, template-based Docking using Article Title: Analysis of the Structural Mechanism of ATP Inhibition at the AAA1 Subunit of Cytoplasmic Dynein-1 Using a Chemical “Toolkit” Article Snippet: FlexX [ , ] docking software, embedded in the Article Title: Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods. Article Snippet: Prioritizing molecules for synthesis is a key role of computational methods within medicinal chemistry.. Multiple tools exist for ranking molecules, from the cheap and popular molecular docking methods to more computationally expensive molecular-dynamics (MD)-based methods.. It is often questioned whether the accuracy of the more rigorous methods justifies the higher computational cost and associated calculation time. Article Title: Microtubule-inspired functionalization of carbon nanotubes: a biomimetic carrier design Article Snippet: FlexX74–76 docking software, embedded in v.2.1.8 of the |