Results 231 to 240 of about 117,044 (300)

Learning Work Function via Implicit Reasoning on Electrostatic Potential Landscapes

Advanced Science, EarlyView.
StructPot‐CLR establishes a cross‐modal contrastive learning framework that aligns the crystal structures of 2D materials with plane‐averaged electrostatic potential landscapes for physically informed work‐function prediction. The model achieves an MAE of 0.265 eV and an R2 of 0.902 on the held‐out test set while accurately preserving key morphological
Haoyu Wan, Yue Wu, Tianhao Su, Deng Pan
wiley   +1 more source

Proton-Based Re-Irradiation of Locally Recurrent Pediatric Brain Tumors in Close Proximity to the Brainstem. [PDF]

Int J Part Ther
Hug EB, Brodbek L, Stock MS, Gojo J, Mock U, Lütgendorf-Caucig C.   +5 more
europepmc   +1 more source

Highly Sensitive Spatial Host‐Microbiome Transcriptomics in FFPE Tissues via Iterative Hydrogel Expansion

Advanced Science, EarlyView.
Ex‐spRandom is a spatial transcriptomics platform that synergizes random‐primed chemistry with iterative hydrogel expansion. By physically decrowding the dense FFPE matrix, this scalable technology shatters the traditional resolution‐sensitivity barrier.
Shunji Zhang, Mengyuan Wang, Jiaye Chen, Yuyi Zhu, Bin Zhu, Ziye Xu, Yuan Liao, Yongcheng Wang   +7 more
wiley   +1 more source

Generalized valences and oxidation scores for solids. [PDF]

Chem Sci
Reitz LS, Müller PC, Dronskowski R.
europepmc   +1 more source

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

Advanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo, Qianqian Zhang, Chenhao Wang, Zhiheng Yi, Alex Jinpeng Wang, Jing Tang, Min Li   +6 more
wiley   +1 more source

A Hyperbolic Sum Rule for Probability: Solving Recursive ("Chicken and Egg") Problems. [PDF]

Entropy (Basel)
Parker MC, Jeynes C, Walker SD.
europepmc   +1 more source

STWave: Fine‐Scale Spatial Structure Discovery in Microscopic‐Resolution Spatial Transcriptomics via Patchwise Wavelet Graphs

Advanced Science, EarlyView.
STWave transforms massive microscopic‐resolution spatial transcriptomics into interpretable fine‐scale tissue maps through patch‐wise inference, wavelet‐based multi‐scale encoding, and dual‐domain reconstruction. It reduces noise while preserving weak spatial signals, enabling efficient analysis of 6 40 000 spots of 2.47 GB GPU memory and revealing ...
Tao Jiang, Songming Zhang, Xiaofeng Chen, Xiongtao Xiao, Wenming Cao, Weikai Li, Tong Zhao, Bing Li, Xinyue Xu, Zhongshan Li   +9 more
wiley   +1 more source

Reconstruction and normalization of LISA for spatial analysis. [PDF]

PLoS One
Chen Y.
europepmc   +1 more source

Entropy‐Driven Physical Amplification in Multivalent Biosensing

Advanced Science, EarlyView.
Detecting scarce molecules usually demands enzymatic amplification such as PCR. A statistical‐mechanical theory now reveals a purely physical alternative: distributing a fixed binding strength over more linker arms exponentially lowers the concentration at which multivalent sensors switch on.
Yuhan Peng, Xiuyang Xia, Ran Ni
wiley   +1 more source

Nonlinear Projection for Ballistic Correlation Functions: a Formula in Terms of Minimal Connected Covers. [PDF]

J Stat Phys
Doyon B.
europepmc   +1 more source