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Structured Review

Dassault Systemes dock ligands (cdocker) tool
Dock Ligands (Cdocker) Tool, supplied by Dassault Systemes, 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/cdocker+tool/cdocker+program/pm39977993-150-9-15
Average 90 stars, based on 1 article reviews
dock ligands (cdocker) tool - by Bioz Stars, 2026-10
90/100 stars

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Related Articles

Binding Assay:

Article Title: Pseudomonas putida Metallothionein: Structural Analysis and Implications of Sustainable Heavy Metal Detoxification in Madinah.
Article Snippet: .. For the purpose of investigating the binding interactions between heavy metals and the metallothionein (MT) modeled structure, molecular docking was conducted using CDocker, a module available within the Discovery Studio software suite (Dassault Systems, Toxics 2023, 11, 864 5 of 19 BIOVIA Corp., San Diego, CA, USA, v 21.1). ..

Article Title: Pseudomonas putida Metallothionein: Structural Analysis and Implications of Sustainable Heavy Metal Detoxification in Madinah
Article Snippet: .. For the purpose of investigating the binding interactions between heavy metals and the metallothionein (MT) modeled structure, molecular docking was conducted using CDocker, a module available within the Discovery Studio software suite (Dassault Systems, BIOVIA Corp., San Diego, CA, USA, v 21.1). ..

Software:

Article Title: Pseudomonas putida Metallothionein: Structural Analysis and Implications of Sustainable Heavy Metal Detoxification in Madinah.
Article Snippet: .. For the purpose of investigating the binding interactions between heavy metals and the metallothionein (MT) modeled structure, molecular docking was conducted using CDocker, a module available within the Discovery Studio software suite (Dassault Systems, Toxics 2023, 11, 864 5 of 19 BIOVIA Corp., San Diego, CA, USA, v 21.1). ..

Article Title: Pseudomonas putida Metallothionein: Structural Analysis and Implications of Sustainable Heavy Metal Detoxification in Madinah
Article Snippet: .. For the purpose of investigating the binding interactions between heavy metals and the metallothionein (MT) modeled structure, molecular docking was conducted using CDocker, a module available within the Discovery Studio software suite (Dassault Systems, BIOVIA Corp., San Diego, CA, USA, v 21.1). ..

Article Title: Comprehensive binding analysis of glycated myosin with furan derivatives via glucose by means of multi-spectroscopy techniques and molecular docking simulation.
Article Snippet: Myosin is an ideal binding receptor for aroma compounds and its functional properties are easily affected by glucose.. The study comprehensively clarified the effects of glucose glycation-induced structural modifications of myosin on its binding ability with furan derivatives, including 2-methylfuran, 2-furfural, and 2-furfurylthiol.. The results demonstrated that the binding levels of furan derivatives were obviously affected by the glycation levels of myosin due to the changes of myosin structure and surface.

Article Title: Discovery of farnesoid X receptor antagonists from Salvia miltiorrhiza based on virtual screening and activity verification.
Article Snippet: The farnesoid X receptor (FXR) is a promising therapeutic target for the treatment of non-alcoholic fatty liver disease (NAFLD).. Salvia miltiorrhiza, a traditional Chinese medicine, has demonstrated significant efficacy in the prevention and treatment of liver diseases.. Consequently, investigating the potential effects of Salvia miltiorrhiza on FXR could provide new insights for NAFLD treatment.

other:

Article Title: C ucumis melo compounds: A new avenue for ALR-2 inhibition in diabetes mellitus
Article Snippet: Using the CDocker module from Discovery Studio [Dassault Systems, BIOVIA Corp., San Diego, CA, USA, v 21.1], all C. melo compounds were virtually screened in this study to find those with promising interactions.

Article Title: Unveiling novel antioxidant peptides from silk fibroin proteins: An integrated in silico and in vitro study.
Article Snippet: Antioxidant peptides exhibit significant potential in combating degenerative diseases by effectively mitigating oxidative stress.. In this study, we developed a machine-learning model for screening antioxidant peptides, achieving a Matthews correlation coefficient of 0.892 ± 0.033 and surpassing the state-of-the-art (SOTA) models.. Through in silico screening, seven novel antioxidant peptides derived from silk fibroin proteins (SFP) were identified (i.e., DEDY, NEEY, GAGRGY, ITRNHDQCR, VDHNL, QGDY, and DDY) and subsequently synthesized.



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Journal: bioRxiv

Article Title: Applications of some artificial intelligence tools in the drug design of some compounds targeting the main viral protease of the Feline Infectious Peritonitis Virus (FIPV) in cats

doi: 10.1101/2024.09.09.612092

Figure Lengend Snippet:

Article Snippet: We typically use ten docking poses for ligands in the CDOCKER tools of the Biovia Discovery Studio ( https://www.3ds.com/products/biovia/discovery-studio ) for our molecular docking protocol.

Techniques: Binding Assay