autodock-tools (AUTODOCK GmbH)
90
Structured Review
AUTODOCK GmbH
autodock-tools
Autodock Tools, 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/autodock+tool/autodock+vina/pmc12279083-445-4-8
Average 90 stars, based on 1 article reviews
Autodock Tools, 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/autodock+tool/autodock+vina/pmc12279083-445-4-8
Average 90 stars, based on 1 article reviews
autodock-tools - by Bioz Stars,
2026-10
90/100 stars
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other:Article Title: Characterization of tannic acid-intravenous immunoglobulin (IVIG) protein complex and impact on drug-induced cytotoxicity in MDA-MB-468 breast cancer cells. Article Snippet: In this study, we investigated the molecular interaction between intravenous immunoglobulin (IVIG) and tannic acid (TA), a natural polyphenol, to assess the potential impact of this interaction on cellular responses relevant to cancer.. Binding analysis revealed that the IVIG-TA complex forms through a single binding site on the protein with lgKa= 3.08-4.20, driven by hydrogen bonding and van der Waals interactions.. Spectroscopic studies, including CD, UVvisible, and fluorescence analysis, indicated that TA induces partial changes in the secondary structure of IVIG and alters the microenvironment around specific tyrosine residues (TYR33, TYR98, TYR99). Article Title: Integrated analysis of multiple programmed cell death-related prognostic genes and functional validation of apoptosis-related genes in osteosarcoma. Article Snippet: Osteosarcoma (OS) is one of the most prevalent bone malignancies with a poor prognosis.. Various types of programmed cell death patterns can influence cancer progression and response to treatment.. We aimed to integrate different molecular characteristics of cell death for risk stratification and personalized therapy. Article Title: Integrated network pharmacology and molecular docking combined with metabolomics to identify the pharmacological mechanism of Jiedu Huoxue decoction against cisplatin-induced acute kidney injury. Article Snippet: Please cite this article as: Wang, X., Guo, S., Chen, J., Cheng, R., Zhou, F., Huang, L., Yang, L., Lu, Z., Li, S., Li, C., Mao, W., Tian, R., Xu, P., Integrated network pharmacology and molecular docking combined with metabolomics to identify the pharmacological mechanism of Jiedu Huoxue decoction against cisplatin-induced acute kidney injury, Journal of Ethnopharmacology, https://doi.org/10.1016/ j.jep.2025.120088. Drug discovery:Article Title: Constructing a Prognostic Model for Non-Small-Cell Lung Cancer Risk Based on Genes Characterising the Differentiation of Myeloid-Derived Suppressor Cells. Article Snippet: .. The Binding Assay:Article Title: Metabolic profiling and antimicrobial activity of Bistorta amplexicaulis D. don by in-vitro implicated through computational studies Article Snippet: .. The top compounds from virtual screening were further docked using the Software:Article Title: Identification and insights into the uncommon configuration of novel histone lysine acetyltransferase PCAF and methyltransferase GLP inhibitors from Wikstroemia chamaedaphne by molecular docking, and in vitro assessment. Article Snippet: Biomedically important human histone acetyltransferase PCAF and histone methyltransferase GLP have emerged as interesting epigenetic targets for the development of anticancer chemotherapeutics.. In this study, two novel daphnane-type diterpenes, along with ten related known ones were obtained from the flower buds of Wikstroemia chamaedaphne.. Compounds 1 and 2, a ring cleavage 1α-alkyldaphnane-type backbone diterpenoids with uncommon H-10 β configuration, were elucidated by the integrated analyses of NMR spectra and experimental and calculated ECD. |