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  • Currently displaying 1181 - 1200 of 29918 publications
Author(s)
Publication title
Journal Name
Publication year
Raman Spectroscopy Measurements Support Disorder-driven Capacitance in Nanoporous Carbons
X Liu, J Choi, Z Xu, C Grey, S Fleischmann, A Forse
(2024)
Energy landscapes for the quantum approximate optimization algorithm
C Boy, D Wales
Physical Review A
(2024)
109
Nanomedicine Targeting Cuproplasia in Cancer: Labile Copper Sequestration Using Polydopamine Particles Blocks Tumor Growth In Vivo through Altering Metabolism and Redox Homeostasis
J Bonet-Aleta, M Encinas-Gimenez, M Oi, AT Pezacki, V Sebastian, A de Martino, A Martín-Pardillos, P Martin-Duque, JL Hueso, CJ Chang, J Santamaria
ACS Appl Mater Interfaces
(2024)
16
Co-aggregation with Apolipoprotein E modulates the function of Amyloid-β in Alzheimer's disease
Z Xia, EE Prescott, A Urbanek, HE Wareing, MC King, A Olerinyova, H Dakin, T Leah, KA Barnes, MM Matuszyk, E Dimou, E Hidari, YP Zhang, JYL Lam, JSH Danial, MR Strickland, H Jiang, P Thornton, DC Crowther, S Ohtonen, M Gómez-Budia, SM Bell, L Ferraiuolo, H Mortiboys, A Higginbottom, SB Wharton, DM Holtzman, T Malm, RT Ranasinghe, D Klenerman, S De
Nat Commun
(2024)
15
Advancing AI protein structure prediction and design: From amino acid “bones” to new era of all-atom “flesh”
S Fang, R Wei, Y Cui, L Su
Green Carbon
(2024)
2
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of Fe II 6 L 6 and Fe II 8 L 8 Antiprisms
Y Yang, Y Du, TK Ronson, JR Nitschke
Ccs Chemistry
(2024)
6
The diversity of SNCA transcripts in neurons, and its impact on antisense oligonucleotide therapeutics
JR Evans, EK Gustavsson, I Doykov, D Murphy, GS Virdi, J Lachica, A Röntgen, MH Murtada, CW Pang, H Macpherson, AI Wernick, CE Toomey, D Athauda, ML Choi, J Hardy, NW Wood, M Vendruscolo, K Mills, W Heywood, M Ryten, S Gandhi
(2024)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
O Niamh, S Benjamin, F Kara, A Michaelides, C Schran
J Phys Chem Lett
(2024)
15
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
AA Rafaniello
(2024)
Influence of point mutations on PR65 conformational adaptability: Insights from molecular simulations and nanoaperture optical tweezers
A Banerjee, S Mathew, MM Naqvi, SZ Yilmaz, M Zacharopoulou, P Doruker, JR Kumita, S-H Yang, M Gur, LS Itzhaki, R Gordon, I Bahar
Science advances
(2024)
10
MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.
M Thomas, NM O'Boyle, A Bender, C De Graaf
Journal of cheminformatics
(2024)
16
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
H Kaur, F Della Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil
(2024)
Local Structure and Dynamics in MPt(CN)6 Prussian Blue Analogues.
EA Harbourne, H Barker, Q Guéroult, J Cattermull, LAV Nagle-Cocco, N Roth, JSO Evans, DA Keen, AL Goodwin
Chemistry of Materials
(2024)
36
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Z Liu, CZ Jiang, AD Bond, NJ Tosca, JD Sutherland
Chemical Communications
(2024)
60
Light management by algal aggregates in living photosynthetic hydrogels.
A Greenan-Smith, ST Chua, S Vignolini
Proc Natl Acad Sci U S A
(2024)
121
Learning Electronic Polarizations in Aqueous Systems.
A Jana, S Shepherd, Y Litman, DM Wilkins
Journal of chemical information and modeling
(2024)
64
i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations
Y Litman, V Kapil, YMY Feldman, D Tisi, T Begušić, K Fidanyan, G Fraux, J Higer, M Kellner, TE Li, ES Pós, E Stocco, G Trenins, B Hirshberg, M Rossi, M Ceriotti
(2024)
Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces.
A Dear, D Thacker, S Wennmalm, L Ortigosa-Pascual, EA Andrzejewska, G Meisl, S Linse, T Knowles
ACS Chemical Neuroscience
(2024)
15
Biomolecular condensates sustain pH gradients at equilibrium through charge neutralisation
H Ausserwöger, R Scrutton, CM Fischer, T Sneideris, D Qian, E de Csilléry, I Baronaite, KL Saar, AZ Białek, M Oeller, G Krainer, TM Franzmann, S Wittmann, JM Iglesias-Artola, G Invernizzi, AA Hyman, S Alberti, N Lorenzen, TPJ Knowles
(2024)
Solutes unmask differences in clustering versus phase separation of FET proteins.
M Kar, LT Vogel, G Chauhan, S Felekyan, H Ausserwöger, TJ Welsh, F Dar, AR Kamath, TPJ Knowles, AA Hyman, CAM Seidel, RV Pappu
Nature Communications
(2024)
15