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Accelrys cdocker program of discovery studio (ds)
Cdocker Program Of Discovery Studio (Ds), supplied by Accelrys, 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/ds+cdocker/cdocker+program+of+discovery+studio/pm37532319-94-4-7
Average 90 stars, based on 1 article reviews
cdocker program of discovery studio (ds) - by Bioz Stars, 2026-11
90/100 stars

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Related Articles

Binding Assay:

Article Title: Structural effects of sulfonamides on the proliferation dynamics of sulfonamide resistance genes in the sequencing batch reactors and the mechanism.
Article Snippet: Antibiotic resistance genes (ARGs) can be easily promoted by antibiotics, however, the structural effects of antibiotics on the proliferation of ARGs dynamic and the associated mechanisms remain obscure in, especially, activated sludge sequencing batch reactors.. In the present study, the effects of 9 sulfonamides (SAs) with different structures on the proliferation dynamic of sulfonamide resistance genes ( Sul s) in the activated sludge sequencing batch reactors and the corresponding mechanisms were determined (30 days), and the results showed that the largest proliferation value ( A R ) of Sul s dynamic for SAs (sulfachloropyridazine) was approximately 2.9 times than that of the smallest one (sulfadiazine).. The proliferation of Suls was significantly related to the structural features ( minHBint6, SssNH, SHBd and SpMax2_Bhm ) that represent the biological activity of SAs.

other:

Article Title: DCLK1 promotes colorectal cancer stemness and aggressiveness via the XRCC5/COX2 axis
Article Snippet: Docking simulation with CDOCKER in the Discovery Studio program (Accelrys, San Diego, CA, USA) showed that DDQ-1 adopts a type I kinase inhibitor binding mode, forming two hydrogen bonds with the hinge V468 residue and charge interactions with the side chains of D472 and D475, while the sulfonyl group on DDQ-1 interacts with the side chain of K419 by hydrogen bonding.

Software:

Article Title: In silico identification and molecular mechanism of novel egg white-derived tyrosinase inhibitory peptides
Article Snippet: This study aimed to identify novel tyrosinase inhibitory peptides from egg white proteins including ovalbumin, ovotransferrin and ovomucoid.. Peptides GDVA and DEK were identified using computer-aided virtual screening and in vitro tyrosinase inhibition experiments.. Especially, peptide DEK exhibited the strongest tyrosinase inhibitory capacity with IC50 value of 0.205 ± 0.07 mmol L 1.

Article Title: Design, synthesis and biological activity of novel triketone herbicides containing natural product fragments.
Article Snippet: 4-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27, HPPD) belongs to the non-heme Fe2+ − containing enzyme family and is an important enzyme in tyrosine decomposition.. HPPD is crucial to the discovery of novel bleaching herbicides.. To develop novel HPPD inhibitor herbicides containing the β-triketone motif, a series of 4hydroxyl-3-(substituted aryl)-pyran-2-one derivatives were designed using the active fragment splicing method.

Article Title: Isothiocyanate From Moringa oleifera Seeds Inhibits the Growth and Migration of Renal Cancer Cells by Regulating the PTP1B-dependent Src/Ras/Raf/ERK Signaling Pathway
Article Snippet: The KD values were calculated using the kinetics and affinity analysis option of the Biacore S200 Evaluation Software Version 1.1 (GE Healthcare). .. The molecular docking analysis was performed using the CDOCKER program of Discovery Studio (DS) 4.5 software (Accelrys Software Inc., San Diego, CA, United States). ..

Docking Assay:

Article Title: Design, synthesis and biological activity of novel triketone herbicides containing natural product fragments.
Article Snippet: 4-Hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27, HPPD) belongs to the non-heme Fe2+ − containing enzyme family and is an important enzyme in tyrosine decomposition.. HPPD is crucial to the discovery of novel bleaching herbicides.. To develop novel HPPD inhibitor herbicides containing the β-triketone motif, a series of 4hydroxyl-3-(substituted aryl)-pyran-2-one derivatives were designed using the active fragment splicing method.



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