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- Currently displaying 1081 - 1100 of 31859 publications
Accelerating Biomolecular Modeling with AtomWorks and RF3
bioRxiv
(2025)
2025.08.14.670328
(doi: 10.1101/2025.08.14.670328)
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)
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries.
ACS Electrochemistry
(2025)
1
2071
A Mechanistic Insight into the Emission Behavior of Boron Difluorohydrazones (BODIHYs): Suppression of Kasha's Rule.
Chemistry (Weinheim an der Bergstrasse, Germany)
(2025)
31
e02168
(doi: 10.1002/chem.202502168)
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
(2025)
(doi: 10.26434/chemrxiv-2025-qclfl)
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)
Celebrating the 60th birthday and achievements of Professor Ulli Steiner
Soft Matter
(2025)
21
6335
(doi: 10.1039/d5sm90096d)
Emergent B2 chemical orderings in the AlTiVNb and AlTiCrMo refractory high-entropy superalloys studied via first-principles theory and atomistic modelling
Jphys Materials
(2025)
8
045002
(doi: 10.1088/2515-7639/adf468)
Targeting USP2 induces degradation of PML-RARα with or without drug-resistant mutations in acute promyelocytic leukemia.
Acta Biochimica Et Biophysica Sinica
(2025)
58
574
(doi: 10.3724/abbs.2025135)
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), 10.1007/s00249-025-01779-3)
European biophysics journal : EBJ
(2025)
55
513
(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 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)
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)
Neurotransmitter-endcapped poly(β-amino estate) for enhanced DNA delivery to the brain through intravenous injection
International Journal of Biological Macromolecules
(2025)
322
146660
Overhauser dynamic nuclear polarization in alkali metals
Physical Review B
(2025)
112
054419
(doi: 10.1103/tpch-2ftn)
Pore Network Tortuosity Controls Fast-Charging in Supercapacitors
(2025)
(doi: 10.26434/chemrxiv-2024-rjgwd)