Results 161 to 170 of about 366,408 (290)

DualPG‐DTA: A Large Language Model‐Powered Graph Neural Network Framework for Enhanced Drug‐Target Affinity Prediction and Discovery of Novel CDK9 Inhibitors Exhibiting in Vivo Anti‐Leukemia Activity

open access: yesAdvanced Science, EarlyView.
This study introduces DualPG‐DTA, a framework integrating two pre‐trained models to generate molecular and protein representations. It constructs dual graphs processed by specialized neural networks with dynamic attention for feature fusion, achieving superior benchmark performance.
Yihao Chen   +7 more
wiley   +1 more source

MGM as a Large‐Scale Pretrained Foundation Model for Microbiome Analyses in Diverse Contexts

open access: yesAdvanced Science, EarlyView.
We present the Microbial General Model (MGM), a transformer‐based foundation model pretrained on over 260,000 microbiome samples. MGM learns contextualized microbial representations via self‐supervised language modeling, enabling robust transfer learning, cross‐regional generalization, keystone taxa discovery, and prompt‐guided generation of realistic,
Haohong Zhang   +5 more
wiley   +1 more source

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

open access: yesAdvanced Science, EarlyView.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang   +8 more
wiley   +1 more source

Behavior‐ and Cell Type‐Specific Cortico‐Striatal Decoupling in a Parkinson's Disease‐Like Mouse Model

open access: yesAdvanced Science, EarlyView.
Utilizing dual‐site fiber photometry, this study examines cortico‐striatal coupling with cell type resolution, identifying behavior‐ and cell type‐specific cortico striatal decoupling and its dopamine‐dependent mechanism in a Parkinson's disease mouse model.
Xu‐Ran Yao   +4 more
wiley   +1 more source

Generalized Additive Modeling of Ecological Data With mgcv: New Adequacy Assessment Tools. [PDF]

open access: yesEcol Evol
Mainguy J   +5 more
europepmc   +1 more source

Initial Distance‐Dependent Mean Force Drives Synaptic Vesicle Motion Toward Fusion Sites in Stimulated Hippocampal Neurons

open access: yesAdvanced Science, EarlyView.
Synaptic vesicle (SV) motion and exocytosis dynamics in the presynaptic terminals of live neurons are intimately linked to synaptic transmission during neuronal activity. In this work, it is revealed that, during electrical stimulation, SVs located farther from their fusion sites exhibit greater straightness and experience larger mean forces directed ...
Gyunam Park   +7 more
wiley   +1 more source

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