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  • Currently displaying 461 - 480 of 30130 publications
Author(s)
Publication title
Journal Name
Publication year
How reactive is water at the nanoscale and how to control it?
XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides
(2025)
Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model
H Zhang, RI Horne, ZF Brotzakis, C Harris, P Liò, M Vendruscolo
(2025)
Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry
H Zhang, W Tian, J Lin, P Zhang, G Shao, SK Ravi, H Sun, E Cortés, V Andrei, S Wang
Adv Mater
(2025)
38
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection.
G Markiewicz, X Qiu, G Avci, EH Wolpert, KE Jelfs, JKM Sanders, AR Stefankiewicz
J Am Chem Soc
(2025)
147
Energy Landscapes of Model Knotted Polymers.
T Hao, Y Ge, MA Miller, A L N Francesco, DJ Wales
Journal of chemical theory and computation
(2025)
21
Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization
H Yin, Y Li, J Lyu
Macromolecular Theory and Simulations
(2025)
34
Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries
E Latchem, T Kress, MA de h-Óra, A Wang, Q Song, A Forse
ACS Electrochem
(2025)
1
Accelerating Biomolecular Modeling with AtomWorks and RF3.
N Corley, S Mathis, R Krishna, MS Bauer, TR Thompson, W Ahern, MW Kazman, RI Brent, K Didi, A Kubaney, L McHugh, A Nagle, A Favor, M Kshirsagar, P Sturmfels, Y Li, J Butcher, B Qiang, LL Schaaf, R Mitra, K Campbell, O Zhang, R Weissman, IR Humphreys, Q Cong, J Funk, S Sonthalia, P Liò, D Baker, F DiMaio
bioRxiv
(2025)
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
K Petzall, BJ Rhodes, Y Wang, T Trisukhon, H Kukreja, SA Lim, PJ Milner, AC Forse
(2025)
Predicting Experimental Success in De Novo Binder Design: A Meta-Analysis of 3,766 Experimentally Characterised Binders
MD Overath, ASH Rygaard, CP Jacobsen, V Brasas, O Morell, P Sormanni, TP Jenkins
(2025)
Celebrating the 60th birthday and achievements of Professor Ulli Steiner.
S Guldin, M Kolle, S Vignolini, BD Wilts
Soft Matter
(2025)
21
An accurate and efficient framework for modelling the surface chemistry of ionic materials.
BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides
Nature Chemistry
(2025)
17
Learning radical excited states from sparse data
J Shen, LE Walker, K Ma, JD Green, H Bronstein, KT Butler, TJH Hele
Chemical Science
(2025)
16
Tumor-Specific STING Agonist Synthesis via a Two-Component Prodrug System
N-S Hsu
(2025)
Correction: Modifying recombinant purple acid phosphatase using computational design.
A Venkatramani, M Ali, O Predeina, JC Molloy, P Sormanni, EAH Hall
European Biophysics Journal
(2025)
Design and characterisation of a thin plate heat exchanger for fouling studies
J Brown, SM Clarke, G Kawaley, MJ Sargent, MA Turner, DI Wilson
Heat and Mass Transfer
(2025)
61
Allylic Amination of Alkenyl Alcohols: Simultaneous Control of Chemoselectivity and Enantioselectivity in Nitrene Transfer Using Ion-Paired Catalysts.
HK Adams, A Fanourakis, A Dahiya, I Băltăreţu, RJ Phipps
ACS Catal
(2025)
15
Classification of Tauopathies from Human Brain Homogenates through Salt-Modulated Tau Amplification
A Santambrogio, MA Metrick, P Xu, S Koga, B Ghetti, DW Dickson, B Caughey, M Vendruscolo
(2025)
Overhauser dynamic nuclear polarization in alkali metals
BLD Rinkel, K Märker, M Juramy, S Paul, S Menkin, CP Grey
Physical Review B
(2025)
112
Spontaneous Surface Charging and Janus Nature of the Hexagonal Boron Nitride-Water Interface.
Y Wang, H Luo, XR Advincula, Z Zhao, A Esfandiar, D Wu, KD Fong, L Gao, AS Hazrah, T Taniguchi, C Schran, Y Nagata, L Bocquet, M-L Bocquet, Y Jiang, A Michaelides, M Bonn
J Am Chem Soc
(2025)
147