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KNIME GmbH rdkit two component reaction node
Rdkit Two Component Reaction Node, supplied by KNIME 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/rdkit+node/rdkit+two+component+reaction+node/pm36752318-46-12-20
Average 90 stars, based on 1 article reviews
rdkit two component reaction node - by Bioz Stars, 2026-11
90/100 stars

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Related Articles

Analogues:

Article Title: Design of OSMI-4 Analogs Using Scaffold Hopping: Investigating the Importance of the Uridine Mimic in the Binding of OGT Inhibitors.
Article Snippet: To prepare our in silico library of sulfonamide-based OSMI-4 analogues, we first downloaded the structures of 24.000 sulfonyl chlorides from the eMolecules database. .. The library of OSMI-4 analogues was then synthesized in silico using the RDKit Two Component Reaction node (rdkit.org) in the KNIME Analytics Platform workflow[30] to react all sulfonyl chlorides with the peptide part of OSMI-4. .. A conformer library of all the sulfonamides was created using OMEGA 4.2.0.1 (OpenEye Scientific Software Inc.)[31,32] and were docked into the OGT binding pocket, as derived from the OGT/OSMI-4 complex (PDB ID: 6MA1).

Synthesized:

Article Title: Design of OSMI-4 Analogs Using Scaffold Hopping: Investigating the Importance of the Uridine Mimic in the Binding of OGT Inhibitors.
Article Snippet: To prepare our in silico library of sulfonamide-based OSMI-4 analogues, we first downloaded the structures of 24.000 sulfonyl chlorides from the eMolecules database. .. The library of OSMI-4 analogues was then synthesized in silico using the RDKit Two Component Reaction node (rdkit.org) in the KNIME Analytics Platform workflow[30] to react all sulfonyl chlorides with the peptide part of OSMI-4. .. A conformer library of all the sulfonamides was created using OMEGA 4.2.0.1 (OpenEye Scientific Software Inc.)[31,32] and were docked into the OGT binding pocket, as derived from the OGT/OSMI-4 complex (PDB ID: 6MA1).

In Silico:

Article Title: Design of OSMI-4 Analogs Using Scaffold Hopping: Investigating the Importance of the Uridine Mimic in the Binding of OGT Inhibitors.
Article Snippet: To prepare our in silico library of sulfonamide-based OSMI-4 analogues, we first downloaded the structures of 24.000 sulfonyl chlorides from the eMolecules database. .. The library of OSMI-4 analogues was then synthesized in silico using the RDKit Two Component Reaction node (rdkit.org) in the KNIME Analytics Platform workflow[30] to react all sulfonyl chlorides with the peptide part of OSMI-4. .. A conformer library of all the sulfonamides was created using OMEGA 4.2.0.1 (OpenEye Scientific Software Inc.)[31,32] and were docked into the OGT binding pocket, as derived from the OGT/OSMI-4 complex (PDB ID: 6MA1).



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