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AUTODOCK GmbH 4.2 docking analysis
4.2 Docking Analysis, supplied by AUTODOCK 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/compass+data+analysis+4+2+program/docking+analysis/pmc06099663-152-33-32
Average 90 stars, based on 1 article reviews
4.2 docking analysis - by Bioz Stars, 2026-09
90/100 stars

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Related Articles

other:

Article Title: Novel anti-pyroptosis drug loaded on metal-organic framework for intervertebral disc degeneration therapy
Article Snippet: To verify the interaction between PFD and NLRP3, docking analysis was performed using the AutoDock tool.

Article Title: Novel Anti-pyroptosis Drug Loaded on Metal-organic Framework for Intervertebral Disc Degeneration Therapy
Article Snippet: To verify the interaction 427 between PFD and NLRP3, docking analysis was performed using the AutoDock tool.

Article Title: Eeukaryotic-like Sppsk1 from Vibrio splendidus AJ01 mediates phagosome escape via inhibiting phagosome acidification and maturation.
Article Snippet: STYKc and ATP6V1C docking were analyzed in ClusPro and PP2C and PtdIns(3)P docking were analyzed by Autodock 2.4.6.

Article Title: Subtractive proteomics unravel the potency of D-alanine-D-alanine ligase as the drug target for Burkholderia pseudomallei.
Article Snippet: Melioidosis, also known as Whitmore’s disease, is caused by the deadly pathogen Burkholderia pseudomallei and remains a significant global health concern, particularly in South Asia.. The disease is contracted through exposure to contaminated soil, water, air, and food.. Infected individuals often present with abscesses in internal organs such as the lungs, spleen, and liver, and in soft tissues, with severe cases leading to septic shock and acute pneumonia.

Activity Assay:

Article Title: Design, Synthesis and Characterization of New Amide-Linked Chromone-Isoxazole Hybrids: In Vitro Anti-Bacterial and Antioxidant Evaluation, DFT Calculations, ADMET Profiling, Docking and Molecular dynamics simulation
Article Snippet: In the present study, we report the synthesis, and biological evaluation of a new series of amide-linked chromone-isoxazole hybrids synthesized through a highly regioselective 1,3-dipolar cycloaddition (1,3-DC) reaction in a reproducible manner.. The resulting products structures were identified by means of several spectroscopic techniques, including 13C NMR, 1H NMR, IR and MS spectrometry.. In addition, the regioand chemoselective synthesis of the newly synthesized chromone-isoxazole carboxamide hybrids were investigated via Density Functional Theory (DFT) calculations at the B3LYP/6–311G(d,p) level, which provided insights into molecular reactivity.

In Vitro:

Article Title: Design, Synthesis and Characterization of New Amide-Linked Chromone-Isoxazole Hybrids: In Vitro Anti-Bacterial and Antioxidant Evaluation, DFT Calculations, ADMET Profiling, Docking and Molecular dynamics simulation
Article Snippet: In the present study, we report the synthesis, and biological evaluation of a new series of amide-linked chromone-isoxazole hybrids synthesized through a highly regioselective 1,3-dipolar cycloaddition (1,3-DC) reaction in a reproducible manner.. The resulting products structures were identified by means of several spectroscopic techniques, including 13C NMR, 1H NMR, IR and MS spectrometry.. In addition, the regioand chemoselective synthesis of the newly synthesized chromone-isoxazole carboxamide hybrids were investigated via Density Functional Theory (DFT) calculations at the B3LYP/6–311G(d,p) level, which provided insights into molecular reactivity.

Software:

Article Title: Design, Synthesis and Characterization of New Amide-Linked Chromone-Isoxazole Hybrids: In Vitro Anti-Bacterial and Antioxidant Evaluation, DFT Calculations, ADMET Profiling, Docking and Molecular dynamics simulation
Article Snippet: In the present study, we report the synthesis, and biological evaluation of a new series of amide-linked chromone-isoxazole hybrids synthesized through a highly regioselective 1,3-dipolar cycloaddition (1,3-DC) reaction in a reproducible manner.. The resulting products structures were identified by means of several spectroscopic techniques, including 13C NMR, 1H NMR, IR and MS spectrometry.. In addition, the regioand chemoselective synthesis of the newly synthesized chromone-isoxazole carboxamide hybrids were investigated via Density Functional Theory (DFT) calculations at the B3LYP/6–311G(d,p) level, which provided insights into molecular reactivity.

Expressing:

Article Title: Identification of CKAP2 as a Potential Target for Prevention of Gastric Cancer Progression: A Multi-Omics Study.
Article Snippet: .. Consequently, we conducted a screen of several small molecular compounds capable of upregulating CKAP2 expression, utilizing Autodock for docking analysis. ..

Binding Assay:

Article Title: Amino Acids From Root Exudates Induce Bacillus Spore Germination to Enhance Root Colonisation and Plant Growth Promotion
Article Snippet: .. To further assess binding affinity, we performed docking analysis using AutoDock. ..



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