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- Currently displaying 141 - 160 of 29564 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)
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 in Neurosciences
(2025)
48
952
(doi: 10.1016/j.tins.2025.10.006)
Design Principles for Air Tolerance in Pyridinium-Based Flow Batteries.
Advanced materials (Deerfield Beach, Fla.)
(2025)
38
e08875
(doi: 10.1002/adma.202508875)
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)
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
Communications Materials
(2025)
6
239
(doi: 10.1038/s43246-025-00956-3)
Pore network tortuosity controls fast charging in supercapacitors.
Nature Materials
(2025)
1
(doi: 10.1038/s41563-025-02404-6)
Label-free estimation of regulatory T cell activation markers using Raman spectroscopy with machine learning.
Sci Rep
(2025)
15
38519
(doi: 10.1038/s41598-025-16002-8)
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 Med Chem
(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)
Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained models
Phys Chem Chem Phys
(2025)
27
22394
(doi: 10.1039/d5cp02918j)
Droplet-based microfluidics uncovers hidden kinetic pathways of protein condensates: divergent routes to amyloids and amorphous aggregates.
(2025)
Reply to: On anisotropy in cubic Cu2O photoelectrodes
Nature
(2025)
646
E26
(doi: 10.1038/s41586-025-09629-0)