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Structured Review

AUTODOCK GmbH molecular docking software version 4.2.6
Molecular Docking Software Version 4.2.6, 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/molecular+docking+software/software+version+4+2+6/pmc06120666__EMBJ___37___e99372___s001-156-9-15
Average 90 stars, based on 1 article reviews
molecular docking software version 4.2.6 - by Bioz Stars, 2026-10
90/100 stars

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Related Articles

Software:

Article Title: Antiviral potential of Melissa officinalis extracts against influenza and emerging coronaviruses.
Article Snippet: A grid box configuration file was created for molecular docking using AutoDock 4.2, with the following center coordinates and dimensions: MERS-CoV RBD: Center: X = -26.791, Y = -21.541, Z = -21.050; Dimensions: X = 80 Å, Y = 52 Å, Z = 48 Å SARS-CoV-2 Spike RBD: Center: X = -40.148, Y = 30.211, Z = 8.451; Dimensions: X = 40 Å, Y = 90 Å, Z = 50 Å. .. AutoDock Vina, a molecular docking software, was used to determine the optimal binding configurations between the selected proteins and chemical compounds36. ..

Article Title: Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof
Article Snippet: .. This step is crucial to computational efficiency, and the grid required for efficient docking calculations is generated by professional software. (5) Docking calculation: AutoDock molecular docking software was used to perform calculations to predict the binding mode between ligand and protein. (6) Binding mode analysis: After obtaining the docking results, an analysis of the binding modes is conducted to identify the most stable interactions. ..

Article Title: Computational Immunogenetic Analysis of Botulinum Toxin A Immunogenicity and HLA Gene Haplotypes: New Insights.
Article Snippet: .. AutoDock Vina Molecular docking software used to predict the binding affinity and pose of small molecules or peptides with proteins. ..

Article Title: Phytochemical screening, antioxidant, and antimicrobial analysis of Portulaca oleracea seeds with in-silico molecular docking insights
Article Snippet: Utilizing the open-source software AutoDock 4.249, we conducted molecular docking analysis, which involved tasks such as protein preparation, ligand preparation, grid generation, and the actual docking process. .. Subsequently, each of these biomolecules was individually input into the AutoDock molecular docking software. ..

Article Title: Deciphering the Antidepressant Potential of Piper betle L. Essential Oil and Its Inclusion Complex: Network Pharmacology and Experimental Insights.
Article Snippet: This study evaluates the antidepressant effects of Piper betle L. leaf essential oil (PBEO) and its inclusion complex (PBECD) in mice whilst exploring potential mechanisms.. Gas chromatography-mass spectroscopy (GC–MS) identified PBEO’s compounds, and β-cyclodextrins were used to enhance stability and bioavailability by forming PBECD.. Characterization was performed using various analytical techniques.

Article Title: Improved Bioavailability of Stilbenes from Cajanus cajan (L.) Millsp. Leaves Achieved by Hydroxypropyl- β -Cyclodextrin Inclusion: Preparation, Characterization and Pharmacokinetic Assessment.
Article Snippet: .. Molecular Docking Analysis To investigate the mechanisms of host–guest interaction between HP-β-CD and individual stilbene components, molecular docking was performed using AutoDock 4.2.6 software. ..

Article Title: Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof
Article Snippet: .. The grid required for efficient docking calculations is generated by professional software. (5) Docking calculation: AutoDock molecular docking software was used to perform calculations to predict the binding mode between ligand and protein. (6) Binding mode analysis: After obtaining the docking results, the binding mode analysis is performed to see which binding modes are the most stable. ..

Binding Assay:

Article Title: Antiviral potential of Melissa officinalis extracts against influenza and emerging coronaviruses.
Article Snippet: A grid box configuration file was created for molecular docking using AutoDock 4.2, with the following center coordinates and dimensions: MERS-CoV RBD: Center: X = -26.791, Y = -21.541, Z = -21.050; Dimensions: X = 80 Å, Y = 52 Å, Z = 48 Å SARS-CoV-2 Spike RBD: Center: X = -40.148, Y = 30.211, Z = 8.451; Dimensions: X = 40 Å, Y = 90 Å, Z = 50 Å. .. AutoDock Vina, a molecular docking software, was used to determine the optimal binding configurations between the selected proteins and chemical compounds36. ..

Article Title: Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof
Article Snippet: .. This step is crucial to computational efficiency, and the grid required for efficient docking calculations is generated by professional software. (5) Docking calculation: AutoDock molecular docking software was used to perform calculations to predict the binding mode between ligand and protein. (6) Binding mode analysis: After obtaining the docking results, an analysis of the binding modes is conducted to identify the most stable interactions. ..

Article Title: Computational Immunogenetic Analysis of Botulinum Toxin A Immunogenicity and HLA Gene Haplotypes: New Insights.
Article Snippet: .. AutoDock Vina Molecular docking software used to predict the binding affinity and pose of small molecules or peptides with proteins. ..

Article Title: Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof
Article Snippet: .. The grid required for efficient docking calculations is generated by professional software. (5) Docking calculation: AutoDock molecular docking software was used to perform calculations to predict the binding mode between ligand and protein. (6) Binding mode analysis: After obtaining the docking results, the binding mode analysis is performed to see which binding modes are the most stable. ..

Generated:

Article Title: Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof
Article Snippet: .. This step is crucial to computational efficiency, and the grid required for efficient docking calculations is generated by professional software. (5) Docking calculation: AutoDock molecular docking software was used to perform calculations to predict the binding mode between ligand and protein. (6) Binding mode analysis: After obtaining the docking results, an analysis of the binding modes is conducted to identify the most stable interactions. ..

Article Title: Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof
Article Snippet: .. The grid required for efficient docking calculations is generated by professional software. (5) Docking calculation: AutoDock molecular docking software was used to perform calculations to predict the binding mode between ligand and protein. (6) Binding mode analysis: After obtaining the docking results, the binding mode analysis is performed to see which binding modes are the most stable. ..



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