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  • Currently displaying 121 - 140 of 30393 publications
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Correction to “Design of Tau Aggregation Inhibitors Using Iterative Machine Learning and a Polymorph-Specific Brain-Seeded Fibril Amplification Assay”
A Santambrogio, RI Horne, MA Metrick, NCT Gallagher, ZF Brotzakis, D Rinauro, E Vourkou, K Papanikolopoulou, EMC Skoulakis, S Linse, B Caughey, M Vendruscolo
Journal of the American Chemical Society
(2026)
148
Toward a unified framework for determining conformational ensembles of disordered proteins
H Ghafouri, P Kadeřávek, AM Melo, MC Aspromonte, P Bernadó, J Cortés, Z Dosztányi, G Erdős, M Feig, G Janson, K Lindorff-Larsen, FAA Mulder, P Nagy, R Pestell, D Piovesan, M Schiavina, B Schuler, N Sibille, G Tesei, P Tompa, M Vendruscolo, J Vondrasek, W Vranken, L Zidek, SCE Tosatto, AM Monzon
Nat Methods
(2026)
23
Rational Design of Nanobodies Targeting LINGO-1
A Röntgen, VR Chowdhury, A Ramon, M Greenig, X Xu, P Sormanni, M Vendruscolo
Applied Research
(2026)
5
Interplay between Local Diffusion, Concentration, and Inter-Protein Alignment Promotes Cross-β-Sheet Transitions at Condensate Interfaces
A Castro, J Luengo-Márquez, AR Tejedor, R Collepardo-Guevara, M Papp, P Arosio, A Ocaña, I Sanchez-Burgos, JR Espinosa
(2026)
Toll-like receptor signaling outcome is determined by the stoichiometry of the endogenous TRIFosome
MC Moncrieffe, P Suresh, J Boyle, Y Cui, B Nawalpuri, B Verstak, YP Zhang, Z Zhang, M Taylor, EH Egelman, N Gay, D Klenerman, C Bryant
Science Advances
(2026)
12
From Accurate Quantum Chemistry to Converged Thermodynamics for Ion Pairing in Solution
N O'Neill, BX Shi, WC Witt, BI Armstrong, WJ Baldwin, P Raiteri, C Schran, A Michaelides, JD Gale
(2026)
Constructing a single-objective oblique plane microscope (OPM) for fast, multi-colour, high-resolution volumetric fluorescence imaging
Z Zhang, W Hong, Y Wu, A Dey, A Shevchuk, D Klenerman
(2026)
Vibronically assisted sub-cycle charge transfer at a non-fullerene acceptor heterojunction
P Ghosh, J Royakkers, G Londi, S Giannini, R Arul, AJ Gillett, ST Keene, SJ Zelewski, D Beljonne, H Bronstein, A Rao
Nature Communications
(2026)
17
DP5 without DFT: uncertainty-calibrated graph neural net accelerates structure confirmation <i>via</i> NMR.
R Kotlyarov, A Howarth, J Goodman
Chemical science
(2026)
False Metallization in Short-Ranged Machine Learned Interatomic Potentials
IJ Parker, MJ Hoffmann, WJ Baldwin, S Han, S Gupta, KD Fong, A Michaelides, C Schran, S De, G Csányi
(2026)
Bulk hexagonal diamond.
S Lai, X Yang, J Shi, S Liu, Y Guo, L Yan, J Zang, Z Zhang, Q Jia, J Sun, S Cheng, C Shan
Nature
(2026)
651
Solar Air-to-Fuel Technologies for a Circular Carbon Economy.
S Kar, E Reisner
J Am Chem Soc
(2026)
148
Operando Microscopy of Photosynthetic Microbial Biohybrids Using Fluorescent Chemical Probes
LA Milburn, EI Wroe, M Eyres, JM Lawrence, JZ Zhang
ACS Electrochem
(2026)
2
The second Gibbs paradox
D Frenkel
The Journal of chemical physics
(2026)
164
Structural Plausibility Without Binding Specificity: Limits of AI-Based Antibody-Antigen Structure Prediction Confidence Scores
E Smorodina, M Ali, KK Brumat, L Salicari, S Miklavc, A Kappassov, C Fu, P Sormanni, A de Marco, V Greiff
(2026)
Scaling Relations of Multicomponent Phase Coexistence Boundaries
D Qian, J Acker, RM Scrutton, CM Fischer, S Qamar, T Sneideris, A Borodavka, TPJ Knowles
Prx Life
(2026)
4
Charge-triggered switching mechanism in selenium selector enabling ultralow leakage current.
Y Sun, T Gotoh, J Zhao, M Zhang, S Shi, H Zhang, Z Liu, J Shen, R Dronskowski, Z Song, SR Elliott, M Zhu
Nat Mater
(2026)
25
Anode‐Free Cell Concepts: Critical Analysis and Development of Practical Batteries
S Menkin, E Ayerbe, AB Gunnarsdóttir, D Del Olmo, P López-Aranguren, A Rafique, J Rikarte, S Chauque, X Shi, O Guillon, R Dominko, P Schlee, M Finsterbusch, A Kvasha, D Fattakhova-Rohlfing
Small
(2026)
22
Atomistic Origin of Photoluminescence Quenching in Colloidal MoS2 and WS2 Nanoplatelets
S Kumar, M Fröhlich, S Velja, M Kögel, O Strolka, A Niebur, S Ginzburg, MS Ramzan, JC Meyer, J Lauth, C Cocchi
Nano Lett
(2026)
26
Dissecting the Binding Interactions of the Chromatin Remodeler SMARCA4 with G‑Quadruplex DNA
SK Madden, D Tannahill, S Balasubramanian
Biochemistry
(2026)
65