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- Currently displaying 101 - 120 of 29307 publications
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water.
Journal of Chemical Theory and Computation
(2025)
21
11710
(doi: 10.1021/acs.jctc.5c01377)
Corrigendum to “Naphthoquinone-tyrptophan reduces neurotoxic Aβ*56 levels and improves cognition in Alzheimer's disease animal model” Neurobiol Dis. 46(3) (2012):663-72
Neurobiol Dis
(2025)
217
107170
(doi: 10.1016/j.nbd.2025.107170)
A Cathepsin B‐Triggered CO‐Releasing Molecule with a Non‐Toxic Metal Core for Targeted Tumor Delivery
Angewandte Chemie International Edition
(2025)
65
e13808
(doi: 10.1002/anie.202513808)
Rethinking neurodegeneration through a co-proteinopathy lens.
Trends Neurosci
(2025)
48
952
(doi: 10.1016/j.tins.2025.10.006)
Modular protein scaffold architecture and AI-guided sequence optimization facilitate de novo metalloenzyme engineering.
Structure (London, England : 1993)
(2025)
34
S0969-2126(25)00397-1
(doi: 10.1016/j.str.2025.10.010)
Design Principles for Air Tolerance in Pyridinium‐Based Flow Batteries
Adv Mater
(2025)
e08875
(doi: 10.1002/adma.202508875)
Identification of potent high-affinity secondary nucleation inhibitors of Aβ42 aggregation from an ultra-large chemical library using deep docking
Molecular Systems Biology
(2025)
22
69
(doi: 10.1038/s44320-025-00159-5)
Thermochromic hydrogel with high transmittance modulation and fast response for flexible smart windows.
Commun Mater
(2025)
6
239
(doi: 10.1038/s43246-025-00956-3)
Label-free estimation of regulatory T cell activation markers using Raman spectroscopy with machine learning.
Scientific Reports
(2025)
15
38519
(doi: 10.1038/s41598-025-16002-8)
Pore network tortuosity controls fast charging in supercapacitors
Nature Materials
(2025)
1
(doi: 10.1038/s41563-025-02404-6)
PhaseXplorer Creates High-Dimensional Phase Diagrams with Closed-Loop Active Learning
ACS Nano
(2025)
19
38981
(doi: 10.1021/acsnano.5c07268)
Recent advances in the antimicrobial potential of boron cluster compounds.
RSC Medicinal Chemistry
(2025)
(doi: 10.1039/d5md00862j)
Machine learning-assisted construction of a lignin carbon dots sensor array for detecting food colorants
Food Chem
(2025)
496
146948
Deep learning assessment of nativeness and pairing likelihood for antibody and nanobody design with AbNatiV2
(2025)
(doi: 10.1101/2025.10.31.685806)
An electrochemical sensor based on cuprite modified multiwall carbon nanotube paste electrode for the selective detection of iodide in aqueous medium
Diamond and Related Materials
(2025)
159
112723
Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches
Surfaces and Interfaces
(2025)
76
107860
(doi: 10.1016/j.surfin.2025.107860)
Visualising the Energy Landscape for a Molecular Dynamics Trajectory
(2025)
(doi: 10.26434/chemrxiv-2025-6f4zq)
Neurodegeneration emerges at a cellular tipping point between aggregate accumulation and removal.
(2025)
(doi: 10.1101/2025.09.08.674880)
Kinetics of seeded protein aggregation: theory and application
(2025)
(doi: 10.48550/arxiv.2503.20941)
Reply to: On anisotropy in cubic Cu2O photoelectrodes.
Nature
(2025)
646
e26
(doi: 10.1038/s41586-025-09629-0)