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- Currently displaying 461 - 480 of 30130 publications
How reactive is water at the nanoscale and how to control it?
(2025)
(doi: 10.48550/arxiv.2508.13034)
Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model
(2025)
(doi: 10.1101/2025.08.16.670694)
Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry
Adv Mater
(2025)
38
e08813
(doi: 10.1002/adma.202508813)
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection.
J Am Chem Soc
(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)
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)
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries
ACS Electrochem
(2025)
1
2071
Accelerating Biomolecular Modeling with AtomWorks and RF3.
bioRxiv
(2025)
2025.08.14.670328
(doi: 10.1101/2025.08.14.670328)
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
(2025)
(doi: 10.26434/chemrxiv-2025-qclfl)
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)
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.
Nature Chemistry
(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)
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 in alkali metals
Physical Review B
(2025)
112
054419
(doi: 10.1103/tpch-2ftn)
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface.
J Am Chem Soc
(2025)
147
30107
(doi: 10.1021/jacs.5c07827)