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SMAC Corp models learned from smac-glore
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Oxford Nanopore oxford_nanopore real data
Oxford Nanopore Real Data, supplied by Oxford Nanopore, 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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Mcule Inc enamine real data sets
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
Enamine Real Data Sets, supplied by Mcule Inc, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
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Vereinigte Papierwarenfabriken GmbH phenotypic and pedigree data
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
Phenotypic And Pedigree Data, supplied by Vereinigte Papierwarenfabriken 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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Sedecal USA Inc clinical nova fa system
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
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Oxford Nanopore ont ultra long sequencing data
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
Ont Ultra Long Sequencing Data, supplied by Oxford Nanopore, 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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BioSemi 64 electrodes biosemi cap
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
64 Electrodes Biosemi Cap, supplied by BioSemi, 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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RStudio rnormfunction
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
Rnormfunction, supplied by RStudio, 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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Siemens AG medium-sized gas turbines
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
Medium Sized Gas Turbines, supplied by Siemens AG, 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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Joint Research Center real data affected by scintillation
(a) Structures of the identified actives from <t>the</t> <t>Mcule-in-stock</t> data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine <t>REAL</t> data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).
Real Data Affected By Scintillation, supplied by Joint Research Center, 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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Image Search Results


(a) Structures of the identified actives from the Mcule-in-stock data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine REAL data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).

Journal: Journal of Chemical Information and Modeling

Article Title: Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors

doi: 10.1021/acs.jcim.5c00907

Figure Lengend Snippet: (a) Structures of the identified actives from the Mcule-in-stock data set against STAT3 SH2 domain, with their corresponding mean IC 50 values. (b) Binding mode of the most potent active compound from the Mcule-in-stock data set, S3_M5 , against the SH2 domain of STAT3 (PDB ID: 6QHD ). (c) Structures of the identified actives from the Enamine REAL data set against STAT3 SH2 domain, with their corresponding IC 50 values. (d) Binding mode of the most potent active compound from the Enamine REAL data set, S3_E4 , against the SH2 domain of STAT3 (PDB ID: 6QHD ).

Article Snippet: The Deep Docking-assisted virtual screening of the Mcule-in-stock and Enamine REAL data sets resulted in 16 and eight compounds, respectively, to be ordered for FP-assay measurements against the STAT3 SH2 domain.

Techniques: Binding Assay

Docking score and DS/HA distributions of docked compounds in the box and whisker plots. In the case of the STAT3 SH2 domain, for the NP (NP column) and OtavaSH2 (Otava column) data sets, the distributions correspond to all compounds, while for the AI-based virtual screenings, they correspond to the docking scores and DS/HA values of the top 20,000 (DD_M column) or 55,000 (DD_E column) predicted virtual hits by Deep Docking from the Mcule-in-stock and Enamine REAL data sets, respectively. Random_M and Random_E columns correspond to the docking score and DS/HA distributions for 20,000 or 55,000 randomly selected compounds from the corresponding data set, respectively. In the case of the STAT5b SH2 domain (colored green) and STAT5b NTD (colored blue), the DD columns (DD_SH2 and DD_NTD) correspond to the docking score and DS/HA distributions for the top 20,000 compounds from the Mcule-in-stock data set for the appropriate target, while the Random columns (Random_SH2 and Random_NTD) correspond to the docking score and DS/HA distributions for the 20,000 randomly selected compounds from the Mcule-in-stock data set for the appropriate target.

Journal: Journal of Chemical Information and Modeling

Article Title: Ultrahigh-Throughput Virtual Screening Strategies against PPI Targets: A Case Study of STAT Inhibitors

doi: 10.1021/acs.jcim.5c00907

Figure Lengend Snippet: Docking score and DS/HA distributions of docked compounds in the box and whisker plots. In the case of the STAT3 SH2 domain, for the NP (NP column) and OtavaSH2 (Otava column) data sets, the distributions correspond to all compounds, while for the AI-based virtual screenings, they correspond to the docking scores and DS/HA values of the top 20,000 (DD_M column) or 55,000 (DD_E column) predicted virtual hits by Deep Docking from the Mcule-in-stock and Enamine REAL data sets, respectively. Random_M and Random_E columns correspond to the docking score and DS/HA distributions for 20,000 or 55,000 randomly selected compounds from the corresponding data set, respectively. In the case of the STAT5b SH2 domain (colored green) and STAT5b NTD (colored blue), the DD columns (DD_SH2 and DD_NTD) correspond to the docking score and DS/HA distributions for the top 20,000 compounds from the Mcule-in-stock data set for the appropriate target, while the Random columns (Random_SH2 and Random_NTD) correspond to the docking score and DS/HA distributions for the 20,000 randomly selected compounds from the Mcule-in-stock data set for the appropriate target.

Article Snippet: The Deep Docking-assisted virtual screening of the Mcule-in-stock and Enamine REAL data sets resulted in 16 and eight compounds, respectively, to be ordered for FP-assay measurements against the STAT3 SH2 domain.

Techniques: Whisker Assay