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Structured Review

Chemical Computing Group moe 2015 software
Moe 2015 Software, supplied by Chemical Computing Group, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/2015+software/moe+software/pm41033038-123-0-2
Average 86 stars, based on 1 article reviews
moe 2015 software - by Bioz Stars, 2026-11
86/100 stars

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Related Articles

Software:

Article Title: METTL3-mediated m 6 A modification of lncRNA MALAT1 promotes colorectal cancer progression by activating the NF-κB signaling pathway.
Article Snippet: .. AR TIC LE IN PR ES S ARTICLE IN PRESS optimization were performed using MOE software (Chemical Computing Group), identifying the S-adenosylmethionine (SAM) binding site as the active pocket. .. Drug-like compound libraries were obtained from ZINC15 (https://zinc15.docking.org/) and ChEMBL (https://www.ebi.ac.uk/chembl/) databases, with a specific focus on compounds exhibiting known or potential anti-CRC activity.

Article Title: A case of maturity-onset diabetes of the young with a pathogenic HNF1A variant and a coexisting NEUROD1 variant.
Article Snippet: .. The structure of the R159W variant of HNF1A was generated with MOE software (Chemical Computing Group, Montreal, Quebec, Canada) and subsequently subjected to structural optimization by GROMACS as described previously27, with slight modifications. ..

Article Title: Therapeutic Potential of Tetrandrine Compared to Temozolomide in Treating Glioblastoma Multiforme Under Normoxic and Hypoxic Conditions.
Article Snippet: The structures of TET, TMZ, and marimastat (broad-spectrum MMP inhibitor [103]) were drawn using ChemDraw software version 16.0.0.82 (68) (PerkinElmer, Waltham, MA, USA). .. After applying the lowest-energy conformation of compounds and removing the co-crystallized ligands L2U and LTQ from MMP-2 and MMP-9, respectively, TET, TMZ, and marimastat were docked into their binding sites using MOE 2014 software (Chemical Computing Group, Montreal, QC, Canada). ..

Article Title: Bi-functional complexes and methods for making and using such complexes
Article Snippet: .. Slog P is implemented in the MOE software suite from Chemical Computing Group, www.chemcomp.com. ..

Article Title: Acoustic Cavitation-Induced Unfolding and Solubilization of Velvet Antler Protein for Antioxidant Peptide Release: Substrate Modification Kinetics, Quantum Chemistry, and Keap1/Nrf2-Associated Cellular Responses.
Article Snippet: .. Following energy minimization of both the receptor and ligands using MOE 2019 software (Chemical Computing Group, Montreal, QC, Canada), the active binding pocket of Keap1 was precisely defined. ..

Article Title: Targeted discovery of diverse isoindolinone derivatives with neurofunctional bioactivities from the endophytic fungus Diaporthe hubeiensis ZMU-49-3 via genome mining coupled with the HSQC-based DeepSAT strategy.
Article Snippet: Neurodegenerative diseases driven by chronic oxidative stress underscore the critical need for novel natural antioxidants with neuroprotective potential.. To systematically identify such leads, we implemented an integrated strategy coupling genome mining with HSQC-based DeepSAT metabolite prediction to guide the chemical investigation of the endophytic fungus Diaporthe hubeiensis ZMU-49-3 from Acacia confusa Merr.. This targeted approach yielded thirteen isoindolinone derivatives (1–13), including seven novel natural products (1–6 and 12), that significantly expand the chemical diversity of Diaporthe species.

Article Title: Coumarin-Thiourea Hybrids: Structural Features Governing CA Inhibition and Antiproliferative Effects.
Article Snippet: .. Docking simulations were performed in MOE Software (version 2019.01, Chemical Computing Group, ULC, Montreal, QC, Canada). ..

Binding Assay:

Article Title: METTL3-mediated m 6 A modification of lncRNA MALAT1 promotes colorectal cancer progression by activating the NF-κB signaling pathway.
Article Snippet: .. AR TIC LE IN PR ES S ARTICLE IN PRESS optimization were performed using MOE software (Chemical Computing Group), identifying the S-adenosylmethionine (SAM) binding site as the active pocket. .. Drug-like compound libraries were obtained from ZINC15 (https://zinc15.docking.org/) and ChEMBL (https://www.ebi.ac.uk/chembl/) databases, with a specific focus on compounds exhibiting known or potential anti-CRC activity.

Article Title: Therapeutic Potential of Tetrandrine Compared to Temozolomide in Treating Glioblastoma Multiforme Under Normoxic and Hypoxic Conditions.
Article Snippet: The structures of TET, TMZ, and marimastat (broad-spectrum MMP inhibitor [103]) were drawn using ChemDraw software version 16.0.0.82 (68) (PerkinElmer, Waltham, MA, USA). .. After applying the lowest-energy conformation of compounds and removing the co-crystallized ligands L2U and LTQ from MMP-2 and MMP-9, respectively, TET, TMZ, and marimastat were docked into their binding sites using MOE 2014 software (Chemical Computing Group, Montreal, QC, Canada). ..

Article Title: Acoustic Cavitation-Induced Unfolding and Solubilization of Velvet Antler Protein for Antioxidant Peptide Release: Substrate Modification Kinetics, Quantum Chemistry, and Keap1/Nrf2-Associated Cellular Responses.
Article Snippet: .. Following energy minimization of both the receptor and ligands using MOE 2019 software (Chemical Computing Group, Montreal, QC, Canada), the active binding pocket of Keap1 was precisely defined. ..

Variant Assay:

Article Title: A case of maturity-onset diabetes of the young with a pathogenic HNF1A variant and a coexisting NEUROD1 variant.
Article Snippet: .. The structure of the R159W variant of HNF1A was generated with MOE software (Chemical Computing Group, Montreal, Quebec, Canada) and subsequently subjected to structural optimization by GROMACS as described previously27, with slight modifications. ..

Generated:

Article Title: A case of maturity-onset diabetes of the young with a pathogenic HNF1A variant and a coexisting NEUROD1 variant.
Article Snippet: .. The structure of the R159W variant of HNF1A was generated with MOE software (Chemical Computing Group, Montreal, Quebec, Canada) and subsequently subjected to structural optimization by GROMACS as described previously27, with slight modifications. ..

other:

Article Title: Targeting UXS1-Dependent Glucuronate Detoxification Potentiates Metformin's Anti-Tumor Efficacy in Lung Adenocarcinoma.
Article Snippet: The expanded OT-1 T cells were subsequently purified using the MojoSort Mouse CD8 T Cell Isolation Kit (BioLegend, USA).



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