Results 241 to 250 of about 201,723 (343)

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

Advanced 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, Jindi Huang, Cong Liu, Shipeng Zhang, Xinze Li, Zhang Zhang, Tie‐Gen Chen, Ling Wang   +7 more
wiley   +1 more source

Identifying Network Propagation Sources Using Advanced Centrality Measures. [PDF]

Entropy (Basel)
Frąszczak D.
europepmc   +1 more source

HOPS-382.ms.tar.gz

, 2019
John Tobin
openalex   +1 more source

Discovery of a Novel DNMT1 Inhibitor with Improved Efficacy in Treating β‐Thalassemia

Advanced Science, EarlyView.
Context of Research: β‐thalassemia affects millions worldwide. DNMT inhibitors are effective HbF‐inducers that benefit patients with β‐thalassemia. Existing DNMT inhibitors are not approved for β‐thalassemia treatment due to dose‐limiting toxicity.What We Find: DMT207 traps DNMT1 into helix‐kinked inactive conformation and enhances its interaction with
Yijie Shen, Jiale Wei, Shibing Tang, Dongliang Wu, Liangyi Zong, Shuyuan Ma, Qing Xiong, Ruijie Gong, Siyuan Xu, Chuxuan Peng, Qin Feng, Songchen Liu, Qitong Liu, Yuhua Ye, Quan Zhao, Cheng Luo, Peng Huang, Zhihai Li, Xiangqian Kong, Xianjiang Lan   +19 more
wiley   +1 more source

Modulating the Bioavailability and Bioaccessibility of Polyphenolic Compounds and Enhancing Health-Promoting Properties Through the Addition of Herbal Extracts to a Functional Beverage. [PDF]

Molecules
Mikołajczak H, Nowicka P.
europepmc   +1 more source

HOPS-377.12CO.ms.selfcal.contsub.tar.gz

, 2019
John Tobin
openalex   +1 more source

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

Advanced 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, Yifan Wu, Hao Luo, Minglong Liang, Yihang Zhou, Cheng Chen, Chris Liu, Jun Zhang, Yang Zhang   +8 more
wiley   +1 more source

Exploring the Influence of Different <i>Saccharomyces cerevisiae</i> Strains and Hop Varieties on Beer Composition and Sensory Profiles. [PDF]

Foods
Costantini A, Petrozziello M, Tsolakis C, Asproudi A, Vaudano E, Pulcini L, Bonello F, Carbone K, Carbone K, Cravero MC.   +9 more
europepmc   +1 more source

HOPS-124.C.Ka.high.cont.0.5.robust.image.pbcor.fits

, 2019
John Tobin
openalex   +1 more source

Quantifying Additive Manufacturing Vapor Plumes Using Laser‐Induced Breakdown Spectroscopy, Synchrotron X‐Ray Radiography and Simulations

Advanced Science, EarlyView.
This study presents a novel in situ laser‐induced breakdown spectroscopy system for monitoring metal vapors produced by the intense laser‐metal interactions in laser powder bed fusion additive manufacturing and laser welding. The insights from this new technique reveal changes in alloy compositions and provide the first in situ validation of multi ...
Anna C. M. Getley, Samy Hocine, Junji Shinjo, Chinnapat Panwisawas, Marta Majkut, Alexander Rack, Peter D. Lee, Michael Towrie, Chu Lun Alex Leung   +8 more
wiley   +1 more source