Results 211 to 220 of about 2,224,797 (293)

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

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

open access: yesAdvanced Science, EarlyView.
StructPot‐CLR establishes a cross‐modal contrastive learning framework that aligns the crystal structures of 2D materials with plane‐averaged electrostatic potential landscapes for physically informed work‐function prediction. The model achieves an MAE of 0.265 eV and an R2 of 0.902 on the held‐out test set while accurately preserving key morphological
Haoyu Wan, Yue Wu, Tianhao Su, Deng Pan
wiley   +1 more source

Bioinspired Porphyrin‐Based Catalysts From Temporospatial Confined Frameworks for Ultrafast Removal of Sulfaclozine

open access: yesAdvanced Science, EarlyView.
We report the rational design of artificial photocatalysts with asymmetrically coordinated dual‐metal centers and a tailored microenvironment, broadly applicable strategy is established for the synthesis of multivariate zirconium‐based metal–organic frameworks, offering a platform for precisely tuning active‐site configurations to optimize ...
Yuxin Lu   +11 more
wiley   +1 more source

Verifiable Differential Privacy Partial Disclosure for IoT with Stateless k-Use Tokens. [PDF]

open access: yesSensors (Basel)
Zheng D   +8 more
europepmc   +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

From Fluoride Removal to Interfacial Reactivity Enhancement: Functionalized La3+‐Crosslinked B/CuO Energetic Microspheres

open access: yesAdvanced Science, EarlyView.
A fluoride adsorption‐functionalization strategy directly couples fluoride wastewater remediation with combustion performance enhancement of B/CuO energetic microspheres. Fluoride captured from wastewater is retained within the microspheres without adsorbent regeneration or disposal, simultaneously achieving pollutant removal and enhanced energetic ...
Hongbiao Huo   +6 more
wiley   +1 more source

Home - About - Disclaimer - Privacy