Results 161 to 170 of about 75,106 (264)

Computationally Evidence‐Grounded Sequence‐First Design of Peptide Binders

open access: yesAdvanced Science, EarlyView.
BOND‐PEP enables controllable, sequence‐first peptide binder design by grounding generation in binding evidence retrieved for each target. It uses topology‐conditioned message passing to integrate relevant peptide examples with the target protein sequence, forming a residue‐level representation that guides the generation of diverse, target‐specific ...
Wenze Ding
wiley   +1 more source

Versatile Co‐Engineering of Immunogenic Cell Death‐Primed Dead Tumor Cell Bodies With Tumor‐Activated MnO2 for cGAS‐STING‐Potentiated Personalized Immunotherapy

open access: yesAdvanced Science, EarlyView.
DTBEI@CS@MnO2, fabricated via modular electrostatic co‐engineering and photothermal/photodynamic immunogenic cell death, specifically responds to the acidic and GSH‐rich tumor microenvironment. This triggers the release of DTBEI that provides tumor antigens, DNA, and DAMPs, as well as the generation of Mn2+, thereby synergistically potentiating cGAS ...
Bolun Xu   +6 more
wiley   +1 more source

Fusing Direct and Indirect Measurements Through Multi‐Fidelity Learning For Accelerated Electrocaloric Materials Discovery

open access: yesAdvanced Science, EarlyView.
A multi‐fidelity framework integrates sparse direct and abundant indirect electrocaloric measurements. Multi‐objective active learning accelerates BaTiO3‐based electrocaloric materials discovery at –70∘C$^{\circ }{\rm C}$. A diffuse transition enables an electrocaloric strength of 0.06×$\times$10−6 Km/V at –70℃ with an operational temperature span of ...
Bo Wang   +8 more
wiley   +1 more source

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

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