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- Currently displaying 341 - 360 of 30279 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)
Rethinking neurodegeneration through a co-proteinopathy lens.
Trends in neurosciences
(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
(2025)
34
32
(doi: 10.1016/j.str.2025.10.010)
Mapping chromatin structure at base-pair resolution unveils a unified model of cis-regulatory element interactions
Cell
(2025)
188
7175
(doi: 10.1016/j.cell.2025.10.013)
Design Principles for Air Tolerance in Pyridinium-Based Flow Batteries.
Adv Mater
(2025)
38
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
Communications Materials
(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)
25
440
(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)
17
65
(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)
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)
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
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)
Reply to: On anisotropy in cubic Cu2O photoelectrodes
Nature
(2025)
646
e26
(doi: 10.1038/s41586-025-09629-0)
Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained models
Physical Chemistry Chemical Physics Pccp
(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)