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- Currently displaying 521 - 540 of 30233 publications
Accelerating Biomolecular Modeling with AtomWorks and RF3.
bioRxiv
(2025)
2025.08.14.670328
(doi: 10.1101/2025.08.14.670328)
Energy Landscapes of Model Knotted Polymers.
Journal of Chemical Theory and Computation
(2025)
21
8168
(doi: 10.1021/acs.jctc.5c01005)
Celebrating the 60th birthday and achievements of Professor Ulli Steiner.
Soft Matter
(2025)
21
6335
(doi: 10.1039/d5sm90096d)
An accurate and efficient framework for modelling the surface chemistry of ionic materials
Nat Chem
(2025)
17
1688
(doi: 10.1038/s41557-025-01884-y)
Learning radical excited states from sparse data.
Chemical science
(2025)
16
17356
(doi: 10.1039/d5sc04276c)
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
(2025)
(doi: 10.17863/CAM.124674)
Design and characterisation of a thin plate heat exchanger for fouling studies
Heat and Mass Transfer
(2025)
61
75
(doi: 10.1007/s00231-025-03592-2)
Correction: Modifying recombinant purple acid phosphatase using computational design.
European Biophysics Journal
(2025)
1
(doi: 10.1007/s00249-025-01792-6)
Allylic Amination of Alkenyl Alcohols: Simultaneous Control of Chemoselectivity and Enantioselectivity in Nitrene Transfer Using Ion-Paired Catalysts
ACS Catalysis
(2025)
15
14639
(doi: 10.1021/acscatal.5c04140)
Classification of Tauopathies from Human Brain Homogenates through Salt-Modulated Tau Amplification
(2025)
(doi: 10.1101/2025.08.05.25331458)
Overhauser dynamic nuclear polarization effect in alkali metals
Physical review B (PRB)
(2025)
112
054419
(doi: 10.1103/tpch-2ftn)
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface.
Journal of the American Chemical Society
(2025)
147
30107
(doi: 10.1021/jacs.5c07827)
Pore Network Tortuosity Controls Fast-Charging in Supercapacitors
(2025)
Berberine mitigates neurotoxicity of misfolded protein oligomers by interacting with the cell membrane and subsequent internalization, without altering their structure
International Journal of Biological Macromolecules
(2025)
322
146398
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
(2025)
(doi: 10.48550/arxiv.2507.23127)
Spectroscopic Signatures of Structural Disorder and Electron-Phonon Interactions in Trigonal Selenium Thin Films for Solar Energy Harvesting
(2025)
(doi: 10.48550/arxiv.2507.23647)
A Charge-Driven Strategy for Covalent Modification and Modulation of Biomolecular Condensates
J Am Chem Soc
(2025)
147
28558
(doi: 10.1021/jacs.5c06625)
Structural and Gas Uptake Studies on Iron(II) β-Diketiminate Metallomacrocycles
Organometallics
(2025)
44
1713
Monitoring blood pressure through a single hybrid hemodynamic signal with a flexible optoelectronic patch
Device
(2025)
3
100778
(doi: 10.1016/j.device.2025.100778)
Collinear Jahn-Teller Ordering Induces Monoclinic Distortion in "Defect-Free" LiNiO2.
J Am Chem Soc
(2025)
147
29042
(doi: 10.1021/jacs.5c07435)