Results 141 to 150 of about 710,395 (248)
Integrating Machine Learning Approaches and Topological Indices for Prediction of Electronic Properties in Anticancer Drugs. [PDF]
Kour S, Sankar JR.
europepmc +1 more source
A metasurface‐enabled helical wavefront fingerprint (MHWF) paradigm is proposed for quantitative and specific retrieval of a liquid medium's refractive index and extinction coefficient. The liquid's complex dielectric response governs the wavefront evolution of the metasurface‐generated focused vortex beam, forming a distinctive three‐dimensional ...
Yuting Zhou +10 more
wiley +1 more source
Integrating fuzzy logic and neural networks with multi-criteria decision-making for intelligent evaluation of drug compound design attributes. [PDF]
Ahmed W +4 more
europepmc +1 more source
ABSTRACT Translating dynamic liquid‐liquid phase separation into robust solid‐state architectures remains a challenge in materials engineering. Here, we report a composition‐driven interfacial assembly strategy that couples supramolecular coacervation with metal‐phenolic coordination to engineer tunable fungicide carriers.
Rui Zhang +7 more
wiley +1 more source
QSAR Modeling and Fragment Contribution Analysis of N-Benzyltryptamines at Human 5-HT2 Receptor Subtypes. [PDF]
Đorđević V +5 more
europepmc +1 more source
In microglia, STAT3 upregulates TAB2, which promotes NF‐κB activation through its NZF domain‐mediated recognition of K63‐linked ubiquitin chains, leading to inflammatory cytokine release and subsequent neuronal injury. Lumacaftor suppresses TAB2 expression and directly binds the TAB2‐NZF domain to interrupt K63 ubiquitin recognition, thereby blocking ...
Yanhao Zhao +12 more
wiley +1 more source
Eccentricity-based topological indices of QSPR modelling using anti-cancer drugs. [PDF]
Vimala R, Ravi Sankar J.
europepmc +1 more source
Switching Spike Plasticity Shapes ACE2 Engagement Across SARS‐CoV‐2 Variants
Conformational plasticity governs SARS‐CoV‐2 spike function and ACE2 recognition. Using high‐speed AFM and single‐molecule force spectroscopy, we analyzed the ancestral spike and nine variants, revealing progressive rigidification from Delta, variable plasticity in Omicron sublineages, and JN.1 compaction.
Sarah Stainer +17 more
wiley +1 more source
Leveraging topological indices and machine learning for advanced prediction of antidepressant drug properties. [PDF]
Zhang G +6 more
europepmc +1 more source

