Results 181 to 190 of about 6,349,849 (305)

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

open access: yesAdvanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo   +6 more
wiley   +1 more source

Universal Battery Capacity Degradation Forecasting Driven by Foundation Models Across Diverse Chemistries and Conditions

open access: yesAdvanced Science, EarlyView.
A unified time‐series forecasting framework learns transferable battery capacity‐degradation patterns from 20 heterogeneous datasets spanning chemistries, formats, temperatures, and cycling conditions. A single model delivers competitive predictions on both known and previously unseen datasets, while physics‐guided representation learning improves ...
Joey Chan   +8 more
wiley   +1 more source

Polymer Concepts in Cellular Function

open access: yes
Advanced Science, EarlyView.
Miao Yu   +7 more
wiley   +1 more source

Uncoupling Type I Interferon Benefits From Inflammatory Toxicity: Transformer‐Prioritized Precision Agonists for Potent and Safer Cancer Immunotherapy

open access: yesAdvanced Science, EarlyView.
A Transformer‐based AI framework, DLINP, screens millions of compounds to identify Co68, a cobalt‐pincer organometallic complex that biases TLR4‐MD2 signaling toward antitumor interferon activation while suppressing inflammatory toxicity through an early TLR4‐SYK‐STAT1 axis.
Xuefei Guo   +10 more
wiley   +1 more source

Ramifications of generalized Feller theory. [PDF]

open access: yesJ Evol Equ
Cuchiero C, Möllmann T, Teichmann J.
europepmc   +1 more source

From Magnetic Fibers to Paper Architectures: A Lightweight Strategy for Robust Low‐Frequency Microwave Absorption

open access: yesAdvanced Science, EarlyView.
A scalable process converts para‐aramid fibers into soft‐magnetic building blocks via micrometer‐thick Fe0.64Ni0.36 (Invar‐type) coatings. Assembled into paper, they form a hierarchical conductive network whose tunable permeability enables thin, lightweight microwave absorption in the low‐frequency (S‐band) regime.
You Wu   +7 more
wiley   +1 more source

Mesoporous‐Shell Monolayer Plasmonic Architecture Enables Quantitative and Decision‐Guided SERS

open access: yesAdvanced Science, EarlyView.
Mesoporous‐shell‐regulated molecular transport combined with monolayer hotspot determinism transforms surface‐enhanced Raman spectroscopy (SERS) from ultrasensitive detection into quantitative and decision‐guided molecular sensing. ABSTRACT Quantitative surface‐enhanced Raman spectroscopy (SERS) has long been impeded by stochastic hotspot formation ...
Guangyao Huang   +9 more
wiley   +1 more source

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