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- Currently displaying 461 - 480 of 30141 publications
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection
Journal of the American Chemical Society
(2025)
147
31270
(doi: 10.1021/jacs.5c10523)
Energy Landscapes of Model Knotted Polymers.
Journal of chemical theory and computation
(2025)
21
8168
(doi: 10.1021/acs.jctc.5c01005)
Accelerating Biomolecular Modeling with AtomWorks and RF3
bioRxiv
(2025)
2025.08.14.670328
(doi: 10.1101/2025.08.14.670328)
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries.
ACS Electrochemistry
(2025)
1
2071
Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders
(2025)
(doi: 10.1101/2025.08.14.670059)
Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization
Macromolecular Theory and Simulations
(2025)
34
e00062
(doi: 10.1002/mats.202500062)
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
(2025)
(doi: 10.26434/chemrxiv-2025-qclfl)
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)
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
(2025)
(doi: 10.17863/CAM.124674)
Correction: Modifying recombinant purple acid phosphatase using computational design
European Biophysics Journal
(2025)
1
(doi: 10.1007/s00249-025-01792-6)
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)
Allylic Amination of Alkenyl Alcohols: Simultaneous Control of Chemoselectivity and Enantioselectivity in Nitrene Transfer Using Ion-Paired Catalysts
ACS Catal
(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)
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
Pore Network Tortuosity Controls Fast-Charging in Supercapacitors
(2025)
(doi: 10.26434/chemrxiv-2024-rjgwd)
Geometric direct minimization for low-spin restricted open-shell Hartree-Fock
(2025)
(doi: 10.48550/arxiv.2507.23127)