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AUTODOCK GmbH docking software
Docking Software, 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+simulations+fred+program/docking+software/us11214804-514-9-16
Average 90 stars, based on 1 article reviews
docking software - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Anti-Anxiety Effects of Essential Oil Microemulsion in Chronic Unpredictable Mild Stress-Induced Rats: Preparation, Characterization, and Mechanisms
Article Snippet: Protein structures were downloaded from PDB ( https://www.rcsb.org/ ), prepared using PyMOL, and docked with ligands (β-asarone and elemicin) via AutoDock Vina 1.1.2.

Article Title: Investigating the Effects of Chelidonic Acid on Oxidative Stress-Induced Premature Cellular Senescence in Human Skin Fibroblast Cells
Article Snippet: All docking results were performed with AutoDock version 1.5.4 (ADT).

Article Title: Mechanism of Ligusticum wallichii-Borneol in the Treatment of Cerebral Ischemic Stroke in Rats Based On Network Pharmacology, Molecular Docking, and Experimental Verification.
Article Snippet: Proteins were prepared for docking in AutoDock 1.5.6 by adding hydrogens, calculating charges, and defining atomic stiffness parameters, with results saved as PDBQT files.

Article Title: Mebendazole effectively overcomes imatinib resistance by dual-targeting BCR/ABL oncoprotein and β-tubulin in chronic myeloid leukemia cells.
Article Snippet: The possible binding sites and docked conformations were obtained when the ligand poses with the lowest docking energy using AutoDock Vina v1.1.2 software.

Article Title: Methionine aminopeptidases: Potential therapeutic target for microsporidia and other microbes.
Article Snippet: THE unique therapeutic activity of methionine aminopeptidases (MetAPs) has been exploited for the development of new drug motifs over the past three decades (Burkey et al., 2018; Cheruvallath et al., 2016; Grocin et al., 2021; Heinrich et al., 2017; Ingber et al., 1990; Kusaka et al., 1991; McBride et al., 2016).. MetAP is a dinuclear metalloprotease that removes an Nterminal methionine residue from nascent proteins and facilitates posttranslational modifications that are essential for the translocation, activation, regulation, and degradation of proteins in eukaryotic cells (Han & Weiss, 2018; Helgren et al., 2016).. MetAP has emerged as an influential drug target, leading to the synthesis of new compounds containing different functional groups for active drug design.

Article Title: PPARG/SPP1/CD44 signaling pathway in alveolar macrophages: Mechanisms of lipid dysregulation and therapeutic targets in idiopathic pulmonary fibrosis
Article Snippet: Afterwards, the compounds were docked 50 times using AutoDock Vina, after which the minimum binding energy was used for each docking.

Binding Assay:

Article Title: Exploring a New Ruthenium(II) Complex with High DNA Binding Ability as a Novel Efficient Luminescent Intercalation Agent to Construct a Label-Free ECL/PL Dual-Mode Biosensor.
Article Snippet: Get e-Alerts ARTICLE | February 25, 2025 Exploring a New Ruthenium(II) Complex with High DNA Binding Ability as a Novel E cient Luminescent Intercalation Agent to Construct a Label-Free ECL/PL Dual-Mode Biosensor , , , , and Analytical Chemistry Cite this: Anal.. Chem.. 2025, 97, 9, 5297–5305 https://doi.org/10.1021/acs.analchem.5c00173 Copyright © 2025 American Chemical Society Request reuse permissions Cite Share Jump to Yaoyao Xu Rongxiu Deng Junli Jia Weiqiang Guo Yuyang Zhou* Open PDF Supporting Information (1) Article Views 611 Altmetric Citations Learn about these metrics Published February 25, 2025 5/28/25, 11:02 PM Exploring a New Ruthenium(II) Complex with High DNA Binding Ability as a Novel Efficient Luminescent Intercalation Agent to Const... https://pubs.acs.org/doi/10.1021/acs.analchem.5c00173 2/24 Ruthenium(II) complexes with special ligands have been widely recognized in numerous elds and attributed to their outstanding DNA binding capacity.

Software:

Article Title: Exploring a New Ruthenium(II) Complex with High DNA Binding Ability as a Novel Efficient Luminescent Intercalation Agent to Construct a Label-Free ECL/PL Dual-Mode Biosensor.
Article Snippet: Get e-Alerts ARTICLE | February 25, 2025 Exploring a New Ruthenium(II) Complex with High DNA Binding Ability as a Novel E cient Luminescent Intercalation Agent to Construct a Label-Free ECL/PL Dual-Mode Biosensor , , , , and Analytical Chemistry Cite this: Anal.. Chem.. 2025, 97, 9, 5297–5305 https://doi.org/10.1021/acs.analchem.5c00173 Copyright © 2025 American Chemical Society Request reuse permissions Cite Share Jump to Yaoyao Xu Rongxiu Deng Junli Jia Weiqiang Guo Yuyang Zhou* Open PDF Supporting Information (1) Article Views 611 Altmetric Citations Learn about these metrics Published February 25, 2025 5/28/25, 11:02 PM Exploring a New Ruthenium(II) Complex with High DNA Binding Ability as a Novel Efficient Luminescent Intercalation Agent to Const... https://pubs.acs.org/doi/10.1021/acs.analchem.5c00173 2/24 Ruthenium(II) complexes with special ligands have been widely recognized in numerous elds and attributed to their outstanding DNA binding capacity.

Article Title: PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening
Article Snippet: .. Compared to AutoDock Vina, the fastest docking software in this benchmark study, PharmacoNet was 3956 and 3483 times faster on the core set and the refined set, respectively. ..



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OpenEye Scientific Software Inc molecular docking simulations fred program
Molecular Docking Simulations Fred Program, supplied by OpenEye Scientific Software Inc, 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+simulations+fred+program/molecular+docking+package+fred/pmc06010114-128-6-15
Average 90 stars, based on 1 article reviews
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