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  • Currently displaying 581 - 600 of 31557 publications
Author(s)
Publication title
Journal Name
Publication year
High-performance training and inference for deep equivariant interatomic potentials
CW Tan, ML Descoteaux, M Kotak, G de Miranda Nascimento, SR Kavanagh, L Zichi, M Wang, A Saluja, YR Hu, T Smidt, A Johansson, WC Witt, B Kozinsky, A Musaelian
Digital Discovery
(2026)
5
Replicability challenges in redox flow cell testing: insights from a multi-institutional study
H O’Connor, AH Quinn, E Saunders, A Dugan, TR Goodwin, NL Farag, G Thompson, A Bondre, M Tabuyo-Martinez, HM Burnett, TY George, JD Sosa, CJ Mingoes, P Nockemann, CP Grey, DS Wright, M De Volder, A Forner-Cuenca, RAW Dryfe, MJ Aziz, AB Jorge Sobrido, FR Brushett, JJ Bailey
Energy & Environmental Science
(2026)
19
Encoding molecular structures in quantum machine learning
C Boy, E Altamura, D Manawadu, I Tavernelli, S Mensa, DJ Wales
Machine Learning Science and Technology
(2025)
6
The NewroBus platform: engineered humanized anti-TfR1 nanobodies for efficient brain delivery
T Yin, M Yesiltepe, S Metkar, A Ramon, M Greenig, P Sormanni, L D'Adamio
Cell communication and signaling : CCS
(2025)
24
Benchmarking Free Energy Computational Methods for Revealing the Interactions Driving PARP1 Selective Inhibition
A Feito, N DeMoya-Valenzuela, C Privat, AR Tejedor, M DelValle-Carrillo, S Cembellín, L Paniagua-Herranz, A Garaizar, J Oller-Iscar, A Ocana, JR Espinosa
(2025)
Charge Regulation Enables Uptake of Ampholytes to Polyelectrolyte Brushes.
R Staňo, P Košovan
ACS macro letters
(2025)
15
In Situ Quantification of Nanoscale Alpha-Synuclein Assemblies
JC Breiter
(2025)
Synthesis and Applications of Polyoxotitanates - From Luminescence to Supramolecular Chemistry
RM Mueller
(2025)
Boron-induced Spin-Polarized Defect Complexes towards Efficient Photocatalytic Tetracycline Decomposition and CO2 Conversion
A Wheatley, Y Tan, R Sun, H Xu, Y Yuan, X Liu, R Zhang
Applied Catalysis B: Environmental
(2025)
386
Cryo-EM structures of NHEJ assemblies with nucleosomes.
C Hall, P Frit, A Kefala-Stavridi, A Pelletier, SW Hardwick, H Amin, MK Bilyard, T Maia De Oliviera, A Tariq, S Zahid, DY Chirgadze, S Balasubramanian, K Meek, V Ropars, J-B Charbonnier, M Modesti, P Calsou, S Britton, TL Blundell, T Schalch, AK Chaplin
Nature communications
(2025)
17
Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos
H Sharif, LA McCall, MG Sanders, RJ Phipps
Angewandte Chemie International Edition
(2025)
65
Atroposelective Suzuki–Miyaura Coupling to Form 2‐Amino‐2′‐Hydroxybiphenyls Enabled by sRuPhos
H Sharif, LA McCall, MG Sanders, RJ Phipps
Angewandte Chemie
(2025)
138
STABILIZING QUINONE MEDIATORS IN BIOLOGICAL AND ELECTROCHEMICAL SYSTEMS USING REDOX HELPERS
SJ Willyam, R Scullion, J Zhang
(2025)
SurfDiff: protein surface profiling for selective or broadly reactive epitope prioritisation in binder and immunogen design.
B Jedlitzke, O Wissett, TH Nguyen, E Ghedin, P Sormanni
bioRxiv
(2025)
Catalytic Deracemization of 1,2-Aminoalcohols Through Enanti-oselective Hydrogen Atom Abstraction
DJ Davies, ASK Lahdenperä, RJ Phipps
Journal of the American Chemical Society
(2025)
148
Recent Advances in Conjugated Microporous Polymers for Photocatalysis: Mechanism, Synthesis and Applications.
D Zhou, K Zhang, X Li, Y Liu, L Yao, H Ma
Exploration (Beijing)
(2025)
6
Effect of the [Fe(salen)]2-μ-oxo Catalyst Electronic Structure on Reductive Hydroamination
E Pocock, NJ Buxton, M Diefenbach, AD Bond, SE Lewis, V Krewald, RL Webster
Inorganic chemistry
(2025)
65
Dielectrocapillarity for exquisite control of fluids
AT Bui, SJ Cox
(2025)
Cadmium and Zinc-Doped p-type Sb2Se3 Single Crystals and Solar Cells
TP Shalvey, TDC Hobson, F Herklotz, R Kaupmees, AA Almushawwah, BG Lewis, CH Don, SR Kavanagh, DO Scanlon, V Dhanak, M Grossberg‐Kuusk, E Lavrov, K Durose, JD Major
Advanced Energy and Sustainability Research
(2025)
7
Ketone-derived Diazo-iodonium Salts as Reagents for Methionine-selective Functionalization
Z-H Goh, MJ Gaunt
Synlett
(2025)
37