Results 181 to 190 of about 81,428 (311)

First‐Principles Structure–Activity Relationship Insights Into Phenolic Scaffolds: QSAR Modeling and Drug‐Likeness Screening

open access: yesAdvanced Theory and Simulations, EarlyView.
Integrated machine learning framework for phenolic derivatives: classification (toxicity) and regression (logP) models identify top drug‐like compounds. Random Forest outperformed for toxicity, while Linear Regression best predicted logP. A weighted scoring approach prioritized five safe, lipophilicity‐optimized candidates, supporting rational ...
Houria Nacer   +7 more
wiley   +1 more source

Mitochondrial Calcium Uniporter Drives Chemoresistance in Pancreatic Cancer via Glutathione‐Mediated Stemness Maintenance

open access: yesAdvanced Science, EarlyView.
PDAC has a poor prognosis due to chemoresistance. We revealed that MCU upregulation is associated with chemoresistance and stemness in PDAC. MCU‐mediated Ca2+ influx induced ER stress, activating the PERK‐ATF4/NRF2 axis to enhance PSAT1/SLC711 expression and glutathione synthesis, reducing ROS and maintaining stemness.
Zekun Li   +17 more
wiley   +1 more source

The capacitated minimum spanning tree problem [PDF]

open access: gold, 2013
Héctor Efraín Ruiz y Ruiz
openalex   +1 more source

Single‐Cell Dissection Reveals Immune Dysregulation After CD5 or CD7‐Directed Chimeric Antigen Receptor T‐Cell Therapy

open access: yesAdvanced Science, EarlyView.
Single‐cell RNA/TCR/BCR sequencing reveals that 5CAR therapy in T‐ALL induces T‐cell exhaustion, reduces EBV‐associated TCRs, lowers TCR/BCR diversity, and increases NK/DC/monocyte activation and function. In contrast, 7CAR therapy reduces multiple pathogen‐associated TCRs, enhances NK cell activation and function, decreases monocyte activation, and ...
Yuechen Luo   +12 more
wiley   +1 more source

Protein Language Model‐Guided Engineering of a 2,3‐Butanediol Dehydrogenase for the Enantioselective Synthesis of Cyclic α‐Hydroxy Ketones

open access: yesAdvanced Science, EarlyView.
A (2R,3R)‐butanediol dehydrogenase from Bacillus subtilis (BsBDH) is engineered for the enantioselective synthesis of 2‐hydroxycyclohexanone. A PASS computational design strategy is proposed to enhance the thermostability of BsBDH. Moreover, ESM‐1v combined with ISM is utilized for enhancing and inverting its stereoselectivity.
Haote Ding   +5 more
wiley   +1 more source

Minimum spanning tree analysis of the human connectome. [PDF]

open access: yesHum Brain Mapp, 2018
van Dellen E   +11 more
europepmc   +1 more source

Unveiling Global Diversity of Patescibacteriota and Functional Interactions with Host Microbes

open access: yesAdvanced Science, EarlyView.
Patescibacteriota represents a diverse group of ultra‐small epibiotic bacteria, which is largely overlooked. By integrating ribosomal protein S3‐based community profiling with MAG‐based metabolic potential analyses, this study provides new insights into their distribution, diversity, and potential interactions with other bacteria across diverse ...
Yanhan Ji   +12 more
wiley   +1 more source

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