Results 171 to 180 of about 14,345,702 (255)

DyProL: Dynamic Ensemble Representation Learning for Protein–Nucleic Acid Binding Site Prediction

open access: yesAdvanced Science, EarlyView.
Protein function is represented as a dynamic conformational ensemble rather than a single static structure. A multi‐conformation geometric attention framework aligns, clusters, and learns representative states to capture residue‐ and ensemble‐level signals. Integrating structural dynamics improves interpretable protein‐NA binding prediction and reveals
Pengpai Li   +3 more
wiley   +1 more source

Struct2ML: End-to-End Prediction of Electronic Charge Densities Using 3D U‑Net. [PDF]

open access: yesACS Omega
Cassiano JVV   +3 more
europepmc   +1 more source

Similarity‐Enhanced Representation Learning of Non‐Canonical Amino Acids for Therapeutic Peptide Modeling

open access: yesAdvanced Science, EarlyView.
Non‐canonical amino acids (ncAAs) enhance peptide therapeutics but remain difficult to model computationally. SinCAA, a similarity‐enhanced pretraining framework, jointly optimizes contrastive learning guided by a novel conformational similarity metric with masked node reconstruction, capturing both functional relationships and chemical identity of ...
Chencheng Xu   +8 more
wiley   +1 more source

AI‐Powered, Temperature‐Resolved Centrifugal Microfluidics for Rapid 3D Phase‐Diagram Generation of Biomolecular Condensates

open access: yesAdvanced Science, EarlyView.
By merging centrifugal microfluidics, precise temperature control, and AI image recognition, T‐PhaseMap transforms biomolecular condensate phase mapping into a rapid, temperature‐resolved workflow. It generates 3D composition–temperature phase diagrams within 30 min, resolves four phase states, and uncovers temperature‐dependent heparin sodium ...
Jiashuo Li   +6 more
wiley   +1 more source

Self-reconfiguring modular robotic boats. [PDF]

open access: yesNat Commun
Wang W   +4 more
europepmc   +1 more source

Microglial TSPAN4‐Dependent Migrasomes Promote Pathological Retinal Neovascularization via Immune‐Vascular Crosstalk

open access: yesAdvanced Science, EarlyView.
Combined high‐glucose and hypoxic stress switches microglia into a TSPAN4‐dependent migrasome‐producing state. These migrasomes deliver pro‐angiogenic signals to endothelial cells, activating HIF‐1α/VEGF signaling, disrupting vascular junctions, and fueling pathological neovascularization. This work uncovers migrasome‐mediated immune‐vascular crosstalk
Jingyi Xu   +12 more
wiley   +1 more source

A Physically Informed QUBO Model for π‑Stacking Interactions in Molecular Docking Problems. [PDF]

open access: yesACS Omega
Beneventi A   +7 more
europepmc   +1 more source

Discrete global grid systems for spatio-temporal aggregation and visualisation [PDF]

open access: yes
Near-real-time data, time series data and other spatio-temporal event data are often subject to the need for cartographic visualisation sooner or later, regardless of their intended purpose of analysis. If a web visualisation is planned, data preparation is a challenging task, as a prototypical quick-and-dirty web presentation in the browser quickly ...
openaire   +1 more source

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