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Accelrys structure data file sdf formats
Structure Data File Sdf Formats, supplied by Accelrys, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/structure+data+format+sdf+structures/data+file+structure/pm41558567-220-1-15
Average 86 stars, based on 1 article reviews
structure data file sdf formats - by Bioz Stars, 2026-09
86/100 stars

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Article Title: Structural exploration of thiazole urea-based Gyr B inhibitors through different computational approaches: Bayesian classification, molecular docking and free energy-inspired molecular dynamics simulation.
Article Snippet: The emergence of multidrug-resistant (MDR) tuberculosis (TB) has posed a major challenge to global health, primarily due to resistance against first-generation fluoroquinolones targeting DNA Gyrase subunit A (Gyr A).. In this context, DNA Gyrase subunit B (Gyr B), essential for bacterial DNA replication and topological regulation, has emerged as a potential alternative drug target.. Despite efforts by medicinal chemists, no FDA-approved Gyr B inhibitors are currently available for TB treatment.

Software:

Article Title: Topical cream loaded with upcycled citrus bioactive chitosan-pectin nanoparticle protects skin from UV-induced photoaging.
Article Snippet: Photoaging, driven by chronic ultraviolet (UV) exposure, accelerates skin aging through inflammation, collagen degradation, and oxidative stress.. This study presents a novel and sustainable anti-photoaging formulation, Nano Citrus Cream (NCC), based on chitosan– pectin (CHI–PEC) nanoparticles loaded with a polyphenol-rich grapefruit extract and orange essential oil.. The optimized nanoparticles (CH-PEC, 1:1) exhibited high encapsulation efficiency (up to 87.9%), nanoscale size (49–101 nm), and colloidal stability (+30 to +54 mV).

Nuclear Magnetic Resonance:

Article Title: Synthesis and antimicrobial activity of thiophene-functionalized Ag(I) and Au(I) N-heterocyclic carbene complexes against ampicillin-resistant Staphylococcus aureus
Article Snippet: .. The final structures of NHC complexes were determined by 1 H NMR and saved in SDF format, followed by in PDB file by Biovia Discovery Studio for further interaction studies. ..

Generated:

Article Title: Logistic regression and random forest unveil key molecular descriptors of druglikeness
Article Snippet: .. The 3D structures of the compounds were generated using the CHARMm force field in BIOVIA Discovery Studio (DS) (http://3dsbiovia.com) and each structure was saved as structure-data file (.sdf). ..



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