Results 231 to 240 of about 45,889 (314)

Revisiting Target‐Aware de novo Molecular Generation with TarPass: Between Rational Design and Texas Sharpshooter

Advanced Science, EarlyView.
TarPass provides a rigorous benchmark for target‐aware de novo molecular generation by jointly evaluating protein‐ligand interactions, molecular plausibility, and drug‐likeness on 18 well‐studied targets. Results show that current models often fail to consistently surpass random baseline in target‐specific enrichment, while post hoc multi‐tier virtual ...
Rui Qin, Zijie Chen, Yurong Li, Meijing Fang, Longji Shen, Yilong Su, Odin Zhang, Qinghan Wang, Qun Su, Jike Wang, Tingjun Hou, Yu Kang   +11 more
wiley   +1 more source

A scalable security co-processor design for IoT applications. [PDF]

Sci Rep
Niazy M, Azmi H, Mahmoud MMA.
europepmc   +1 more source

Cancer‐Associated Fibroblast‐Derived Sphingosine‐1‐Phosphate Activates a MALL–SDC4 Axis to Facilitate Perineural Invasion in Pancreatic Cancer

Advanced Science, EarlyView.
CAF‐derived S1P activates the S1PR3‐JNK‐Jun signaling pathway, thereby transcriptionally upregulating MALL expression in cancer cells. MALL increases the cell‐surface abundance of SDC4 by promoting its recycling and restricting its lysosomal degradation, which in turn enhances RhoA‐p‐MLC2‐dependent amoeboid invasion and SDC4‐PTN axis‐mediated cancer ...
Wang Peng, Mengdie Cao, Hai Huang, Shuya Bai, Luyao Liu, Jingwen Liang, Haochen Cui, Qiaodan Zhou, Shiru Chen, Jiamei Jiang, Luoxia Liu, Zhou Luan, Wei Chen, Si Xiong, Ronghua Wang, Bin Cheng, Yuchong Zhao   +16 more
wiley   +1 more source

A tool box for compiler construction

, 2022
Grosch, J., Emmelmann, H.
core  

Implementation of McMurchie-Davidson Algorithm for Gaussian AO Integrals Suited for SIMD Processors. [PDF]

J Phys Chem A
Asadchev A, Valeev EF.
europepmc   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

Advanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

A deep-learning-based consistency test approach for Earth system models on HPC systems. [PDF]

iScience
Yu Y, Zhang S, Fu H, Chen D, Gao Y, Lin X, Liu Z, Lv X.   +7 more
europepmc   +1 more source

SpaMode: A Broadly Applicable Framework for Deciphering Spatial Multi‐Omics Using Multimodal Mixture of Disentangled Experts

Advanced Science, EarlyView.
SpaMode introduces a versatile framework for spatial multi‐omics integration across vertical, horizontal, and mosaic scenarios. By disentangling modality‐invariant and variant features through a mixture‐of‐experts mechanism, it adaptively reconfigures spatially heterogeneous signals.
Xubin Zheng, Xinlei Huang, Xiang Zhou, Dian Meng, Ziyue Qiao, Zhiyuan Yuan, Lixin Cheng   +6 more
wiley   +1 more source

Exploring code portability solutions for HEP with a particle tracking test code. [PDF]

Front Big Data
Ather H, Berkman S, Cerati G, Kortelainen MJ, Kwok KHM, Lantz S, Lee S, Norris B, Reid M, Reinsvold Hall A, Riley D, Strelchenko A, Wang C.   +12 more
europepmc   +1 more source