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AUTODOCK GmbH molecular docking experiments
Molecular Docking Experiments, 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+experiments/molecular+docking+experiments/bio_rxiv__2025__07__15__665023-177-5-8
Average 90 stars, based on 1 article reviews
molecular docking experiments - by Bioz Stars, 2026-11
90/100 stars

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Article Title: A modified nucleoside O6-methyl-2'-deoxyguanosine-5'-triphosphate exhibits anti-glioblastoma activity in a caspase-independent manner.
Article Snippet: We conducted molecular docking experiments using Autodock Vina to investigate the interactions of O6-methyl-dGTP with RRM1, IMPDH, and HGPRT.

Article Title: Analysis of Antioxidant Activity and Volatile Components in Rapeseed Flower-Enriched Persimmon Wine.
Article Snippet: Using the optimized molecules, molecular docking experiments were performed between the monosaccharides and phenolic compounds using AutoDock Vina v1.1.2.

Article Title: Heterogeneous Graph Contrastive Learning with Graph Diffusion for Drug Repositioning.
Article Snippet: Drug repositioning, which identifies novel therapeutic applications for existing drugs, offers a cost-effective alternative to traditional drug development.. However, effectively capturing the complex relationships between drugs and diseases remains challenging.. We present HGCL-DR, a novel heterogeneous graph contrastive learning framework for drug repositioning that effectively integrates global and local feature representations through three key components.

Article Title: The mechanism of Micafungin action to Pteropine orthoreovirus infection in human cell line
Article Snippet: Molecular docking experiments were conducted to target the PRV proteins using AutoDock 4.2.6 ( http://autodock.scripps.edu/ ) [ – ].

Binding Assay:

Article Title: Analysis of Antioxidant Activity and Volatile Components in Rapeseed Flower-Enriched Persimmon Wine
Article Snippet: .. Using the optimized molecules, molecular docking experiments were performed between the monosaccharides and phenolic compounds using AutoDock Vina v1.1.2.. Each of the three monosaccharides was individually docked with each of the three phenolic compounds 20 times, and the free binding energy values were recorded for each simulation. ..

Article Title: Design and Synthesis of Pleuromutilin Derivatives as Antibacterial Agents Using Quantitative Structure-Activity Relationship Model.
Article Snippet: Compound MIC (μg/mL) MRSA ATCC 43300 S. aureus ATCC 29213 Tiamulin 0.0625 0.5 1 <0.0625 <0.0625 2 1 1 2.5. .. Molecular Docking Study To investigate the possible binding pattern of compounds 1 and 2 to the peptidyl transferase center (PTC) domain of ribosome, molecular docking experiments were carried out using Autodock Vina [26]. ..

Article Title: JTCD attenuates HF by inhibiting activation of HSCs through PPARα-TFEB axis-mediated lipophagy.
Article Snippet: Background: Hepatic fibrosis (HF) is an intermediate stage in the progression of chronic liver disease to cirrhosis and has been shown to be a reversible pathological process.. Known evidence suggests that activation of hepatic stellate cells (HSCs) and degradation of their lipid droplets (LDs) play an indispensable role in the process of HF.. Jiawei Taohe Chengqi Decoction (JTCD) can inhibit the activation of HSCs in the process of HF, but the exact mechanism remains to be elucidated.

Biomarker Discovery:

Article Title: A Deep Learning-based Method for Drug Molecule Representation and Property Prediction
Article Snippet: .. Further validation was conducted using molecular docking experiments (AutoDock Vina). ..



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