A novel approach for enhancing the potency of kinase inhibitors using topological water networks. [PDF]
J CheminformJeoung RG +4 more
europepmc +1 more source
High Fracture Toughness of 1D Copper‐Based MOP Electrode Enables Fast‐Charging Lithium‐Ion Batteries
Advanced Science, EarlyView.Traditional electrode materials suffer from particle cracking and rapid capacity fade during fast charging, largely originating from their low fracture toughness. This work introduces a one‐dimensional Cu‐based metal–organic polymer, in which strong π‐d conjugation and π–π stacking endow the framework with high fracture toughness, simultaneously ...
Mingli Li +8 more
wiley +1 more source
Ensemble Sensitivity to Chemical Modifications in Free and Bound Macrocyclic Peptides. [PDF]
J Phys Chem BMartínez-Noa Y +4 more
europepmc +1 more source
Topology‐Aware Deep Learning on Higher‐Order Structures for Drug Response Prediction
Advanced Science, EarlyView.We present TopDr, a topology‐aware deep learning framework that encodes both drugs and cell lines as multiscale simplicial complexes, capturing interactions at the 0‐, 1‐, and 2‐simplex levels. By jointly integrating local higher‐order neighborhoods and global topological structures, TopDr generates enriched representations for sensitivity prediction ...
Cong Shen +3 more
wiley +1 more source
On structure of CAT(0) groups (General and Geometric Topology today and their problems)
On structure of CAT(0) groups (General and Geometric Topology today and their problems)openaire
A Classification of Intrinsic Ergodicity for Recognisable Random Substitution Systems. [PDF]
Commun Math PhysGohlke P, Mitchell A.
europepmc +1 more source
Advanced Science, EarlyView.This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley +1 more source
Intraoperative Magnesium Sulfate and Early Postoperative Analgesia in Lumbar Microdiscectomy: A Retrospective Clinical Study Integrating Molecular Docking and Protein Interaction Network Analysis. [PDF]
J Clin MedTamdogan T +6 more
europepmc +1 more source
Intrinsic Quantization of Linear Hamiltonian Systems. [PDF]
Entropy (Basel)Accardi L, Pandiscia C.
europepmc +1 more source
Early identification of high-risk individuals for mortality after lung transplantation: A retrospective cohort study with topological feature engineering. [PDF]
PLOS Digit HealthTran-Dinh A +9 more
europepmc +1 more source