Results 161 to 170 of about 321,036 (296)

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

The SMC Hinge is a Selective Gate for Obstacle Bypass. [PDF]

Nat Commun
Liu HW, Roisné-Hamelin F, Taschner M, Collier J, Srinivasan M, Gruber S.   +5 more
europepmc   +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

Robotic posterior bar decalcification and mitral repair in mitral annular calcification. [PDF]

Ann Cardiothorac Surg
Loulmet DF, Hage A, Grossi EA.
europepmc   +1 more source

Metabolic Regulation of Dimethylsulfoniopropionate Cleavage and Dimethyl Sulfide Production in Halomonas sp. D47

Advanced Science, EarlyView.
Dimethylsulfoniopropionate (DMSP) is a major marine organosulfur compound central to climate‐relevant dimethyl sulfide (DMS) production. In Halomonas sp. D47, DMSP catabolism is revealed to be coordinated by two transcriptional regulators, AcuR and AcuZ, which control gene expression by sensing DMSP and its metabolites.
Li‐Yuan Zheng, Wen‐Xin Jiang, Xiao‐Meng Sun, Li Liu, Zhao‐Jie Teng, Hou‐Qi Wang, Wen‐Jing Zhu, Chang Ge, Qi‐Long Qin, Ning‐Hua Liu, Hai‐Yan Cao, Hui‐Hui Fu, Chun‐Yang Li, Jonathan D. Todd, Xiu‐Lan Chen, Yu‐Zhong Zhang, Peng Wang   +16 more
wiley   +1 more source

A high signal-to-noise ratio and high-frequency seesaw cantilever for high-speed atomic force microscopy. [PDF]

Nat Commun
Li L, Miyagi A, Scheuring S.
europepmc   +1 more source

UniMR: A Plug‐and‐Play Framework of Automated Molecular Recognition for Scanning Tunneling Microscopy

Advanced Science, EarlyView.
UniMR, a training‐free framework for automated molecular recognition in STM images. By integrating adaptive feature selection with CLIP embeddings and Gaussian Mixture Modeling, UniMR achieves robust performance across diverse molecular systems and low‐resolution conditions.
Ziqiang Cao, Lingyin Zhang, Bingzheng Wu, Haonan Chen, Junhao Sun, Linghao Yan, Wenfei Li, Yangyang Wu, Zhifang Wang, Qigang Zhong, Lifeng Chi   +10 more
wiley   +1 more source

Study of the Equivalent Stiffness of a Non-Contact Piezoelectric Actuator's Micro-Displacement Amplification Mechanism. [PDF]

Micromachines (Basel)
Li H, Zhang D, Lin Y, Yang Y, Shi Z, Li C.   +5 more
europepmc   +1 more source

Mechanical Overloading‐Induced Nanomineral Crystal Perturbation from the Osteochondral Interface: A Potential Initiator of Osteoarthritis

Advanced Science, EarlyView.
Laser‐induced graphene (LIG) provides a scalable, laser‐direct‐written route to porous graphene architecture with tunable chemistry and defect density. Through heterojunction engineering, catalytic functionalization, and intrinsic self‐heating, LIG achieves highly sensitive and selective detection of NOX, NH3, H2, and humidity, supporting next ...
Nan Jiang, Rong Ren, Zhan Su, Jiahao Zhou, Pinyin Cao, Sicheng Zhang, Zhen Li, Chao Li, Songsong Zhu   +8 more
wiley   +1 more source

IgG‐Bridging–Seeded Synergistic Aggregation of SARS‐CoV‐2 Spikes Underlies Potent Neutralization by a Low‐Affinity Antibody

Advanced Science, EarlyView.
Low‐affinity antibodies are frequently disregarded in discovery pipelines. This work reports P5‐1C8, a Class 1 SARS‐CoV‐2 antibody with weak trimer binding (KD‐to‐IC50 > 3700‐fold) yet potent neutralization of Omicron JN.1. Structural, biophysical, functional, and coarse‐grained simulations collectively demonstrate that transient inter‐spike IgG ...
Niannian Lv, Peng Chen, Xiaobin Dai, Hu Xu, Ziheng Li, Zelin Shan, Jinqian Li, Fenglin Guo, Yuanfang Chen, Jiayi Li, Yiqian Huang, Guizhi Dong, Yifan Jiang, Liang Chen, Xuanyu Nan, Hanjun Zhao, Kang Zhang, Shilong Fan, Yuanchen Dong, Dongsheng Liu, Xinquan Wang, Deli Huang, Xiaojing Pan, Chunying Chen, Zhihua Liu, Li‐Tang Yan, Qi Zhang, Linqi Zhang, Yuliang Zhao, Yuhe Renee Yang   +29 more
wiley   +1 more source