pdbqt molecular structure file format (AUTODOCK GmbH)
90
Structured Review
AUTODOCK GmbH
pdbqt molecular structure file format
Pdbqt Molecular Structure File Format, 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/pdbqt+file+format/pdbqt+molecular+structure+file+format/pmc12163905-182-4-1
Average 90 stars, based on 1 article reviews
Pdbqt Molecular Structure File Format, 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/pdbqt+file+format/pdbqt+molecular+structure+file+format/pmc12163905-182-4-1
Average 90 stars, based on 1 article reviews
pdbqt molecular structure file format - by Bioz Stars,
2026-11
90/100 stars
Images
Related Articles
other:Article Title: Febuxostat protects from Doxorubicin induced hepatotoxicity in rats via regulation of NF-κB p65/NLRP3 inflammasome and SIRT-1/AMPK pathways. Article Snippet: The PDBQT file format was used to enhance readability of the protein and ligand structure in the Article Title: Ginsenosides as Potential Natural Ligands of SLC3A2: Computational Insights in Cancer Article Snippet: To facilitate molecular docking (MD) studies, these compounds were then processed into the pdbqt file format—a task achieved using the functionalities provided by Article Title: Carvacrol potentiates immunity and sorafenib anti-cancer efficacy by targeting HIF-1α/STAT3/ FGL1 pathway: in silico and in vivo study. Article Snippet: To facilitate readability in the Article Title: Ginsenosides as Potential Natural Ligands of SLC3A2: Computational Insights in Cancer. Article Snippet: To facilitate molecular docking (MD) studies, these compounds were then processed into the pdbqt file format—a task achieved using the functionalities provided by Article Title: Exploration of the Anticancer Activity of Selaginella bryopteris derived silver nanoparticles Article Snippet: The docking complex was retrieved in Article Title: Construction of an electrochemical aptamer-based sensors for rapid quantification of the anticancer drug imatinib in blood to improve drug bioavailability at microdoses. Article Snippet: Imatinib (Ima), as a commonly used anticancer drug for the clinical treatment of leukemia and gastrointestinal mesenchymal stromal tumour, requires timely monitoring of patients' blood concentration to ensure efficacy while reducing complications and achieving precision medicine due to its narrow therapeutic window (1–5 μM) and the varying sensitivity and resistance of different patients to Ima.. However, traditional assays are slow and cumbersome, so improved and innovative platforms for monitoring Ima in the clinic are necessary.. In this work, a nanoporous electrochemical aptamer-based (E-AB) sensor was designed for the detection of Ima and imatinib mesylate (Ima-Mes) in blood. Article Title: Identification of key genes and pathways involved in T-DM1-resistance in OE-19 esophageal cancer cells through bioinformatics analysis. Article Snippet: The structures were converted into the PDBQT file format using Article Title: In silico studies of thiazole derivative towards its potential use against SARS-CoV-2: An intuition from an experimental and computational approach Article Snippet: The N-(4-methoxyphenyl)-4-phenylthiazole-2-carboxamide (TT7) obtained via cyclization of methyl 2-((4-methoxyphenyl)amino)-2-oxoethanedithioate with ɑ-haloketone and then characterized by 1H NMR and 13C NMR spectroscopy, and single crystal X-ray diffraction method.. Weak intermolecular interactions like C–H...O, C–H...π, C–O...π, and π...π interactions help to stabilize the compound TT7.. The weak interactions formed in the solid structure of the compound TT7 were meticulously investigated using theoretical approach like Hirshfeld surface analysis using crystallographic information file (.cif). |