Results 131 to 140 of about 254,808 (222)

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

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

Loss of SOCS1 in Donor T Cells Exacerbates Intestinal GVHD by Driving a Chemokine‐Dependent Pro‐Inflammatory Immune Microenvironment

open access: yesAdvanced Science, EarlyView.
T cell‐specific Socs1 knockout leads to inflammatory differentiation of CD8+ T cells, prompting the STAT1/2 complex to drive the activation of Ccl5, Ccr5, and Cxcr3, and promoting the skewing of monocytes toward a pro‐inflammatory M1 macrophage lineage.
Zhigui Wu   +14 more
wiley   +1 more source

Sulfur mustard induced oxidative stress and its alteration using asoxime (HI-6). [PDF]

open access: yesInterdiscip Toxicol, 2013
Pohanka M   +3 more
europepmc   +1 more source

Reference‐Guided Chromosome‐by‐Chromosome de novo Assembly at Scale Using Low‐Coverage High‐Fidelity Long‐Reads with HiFiCCL

open access: yesAdvanced Science, EarlyView.
HiFiCCL, as the first assembly framework specifically designed for low‐coverage high‐fidelity reads, improves the assembly quality of existing assemblers and also enhances downstream applications such as large structural variant (SV) detection (>10 000 bp), synteny analysis, pangenome graph construction, and graph‐based individual‐specific germline SVs
Zhongjun Jiang   +9 more
wiley   +1 more source

The Microbiota Shapes Central Nervous System Myelination in Early Life

open access: yesAdvanced Science, EarlyView.
Gut microbiota shapes brain development by regulating myelination and glial cell maturation in early life. Using germ‐free (GF) mice and zebrafish, this study reveals sex‐ and age‐dependent effects on myelin growth, integrity, and related gene expression.
Caoimhe M. K. Lynch   +13 more
wiley   +1 more source

Alkylthienyl Side Groups in Conjugated Polymers Enable Localization of π Electron Density and Facilitate Efficient Hole Transfer

open access: yesAdvanced Science, EarlyView.
Resonance Raman spectroscopy is used in combination with other spectroscopic and morphology characterization techniques to unveil the mechanistic origin of the shift in synthetic strategy to alkylthienyl peripheral groups for high‐performing organic photovoltaics.
Hristo Ivov Gonev   +13 more
wiley   +1 more source

Developing Del2Phen: A Novel Phenotype Description Tool for Chromosome Deletions. [PDF]

open access: yesHum Mutat
Rraku E   +7 more
europepmc   +1 more source

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