Results 91 to 100 of about 39,740 (209)

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

open access: yesAdvanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang   +8 more
wiley   +1 more source

Particle Filtering-Based In-Flight Icing Detection for Unmanned Aerial Vehicles. [PDF]

open access: yesSensors (Basel)
Souanef T   +4 more
europepmc   +1 more source

Inhibitory Decay and Supercritical Brain Dynamics During Sleep Deprivation

open access: yesAdvanced Science, EarlyView.
Sleep deprivation progressively shifts human brain dynamics from near‐critical toward supercritical states, as revealed by neuronal avalanche analysis of resting‐state fMRI. These changes track subjective sleep pressure rather than vigilance lapses and show marked network heterogeneity. A circuit model suggests that reduced inhibitory efficacy provides
Dai Zhang   +6 more
wiley   +1 more source

ABHD17C‐Mediated S‐Depalmitoylation of BCL6B Enhances CD24 Transcription to Resist Macrophage Phagocytosis in Pancreatic Cancer

open access: yesAdvanced Science, EarlyView.
ABHD17C‐mediated depalmitoylation of BCL6B at Cys442 blocks its nuclear import and triggers ubiquitin‐dependent degradation, attenuating transcriptional repression of the anti‐phagocytic signal CD24. This mechanism enables pancreatic cancer cells to evade macrophage phagocytosis and fosters an immunosuppressive microenvironment.
Yalu Zhang   +9 more
wiley   +1 more source

Protein Structuromics Reveals a Loop‐Controlled Half‐Open Active Pocket Conformation Throughout Fe(II)/α‐ketoglutarate‐Dependent Dioxygenase Catalytic Cycle

open access: yesAdvanced Science, EarlyView.
This study reveals a conserved half‐open active pocket in Fe(II)/α‐ketoglutarate‐dependent dioxygenases through protein structuromics, distinguished by structural features comprising highly flexible loop elements. Enhanced sampling simulations‐guided mutagenesis experiments elucidated how this flexible loop regulates pocket open/closed conformations ...
Lunjie Wu   +10 more
wiley   +1 more source

PhosSight: A Unified Deep Learning Framework Boosting and Accelerating Phosphoproteome Identification to Enable Biological Discoveries

open access: yesAdvanced Science, EarlyView.
PhosSight is a unified deep‐learning framework for phosphoproteome identification, featured by a phosphorylation‐aware detectability predictor. It improves identification sensitivity in DDA through deep re‐localization and rescoring, accelerates DIA searches by detectability‐guided spectral library pruning, and expands phosphoproteome coverage to ...
Ben Wang   +10 more
wiley   +1 more source

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