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  • Currently displaying 1381 - 1400 of 29614 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)
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 Applied Materials & Interfaces
(2024)
16
Energy landscapes for the quantum approximate optimization algorithm
C Boy, D Wales
Physical Review A (PRA)
(2024)
109
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
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
Nature communications
(2024)
15
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
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)
Ian Manners (1961-2023): Learning to Fly
E Leitao, H MacKenzie
Angewandte Chemie International Edition
(2024)
63
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
Journal of Physical Chemistry Letters
(2024)
15
Steric Control over Interligand Dihedrals and Splay Leads to the Formation of FeII6L6 and FeII8L8 Antiprisms
Y Yang, Y Du, TK Ronson, JR Nitschke
Ccs Chemistry
(2024)
6
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
AA Rafaniello
(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
Chem Mater
(2024)
36
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)
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
J Cheminform
(2024)
16
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Z Liu, CZ Jiang, AD Bond, NJ Tosca, JD Sutherland
Chemical Communications
(2024)
60
Learning Electronic Polarizations in Aqueous Systems
A Jana, S Shepherd, Y Litman, DM Wilkins
Journal of chemical information and modeling
(2024)
64
Light management by algal aggregates in living photosynthetic hydrogels
A Greenan-Smith, ST Chua, S Vignolini
Proceedings of the National Academy of Sciences of the United States of America
(2024)
121
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
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)
Tuning structural modulation and magnetic properties in metal-organic coordination polymers [CH$_3$NH$_3$]Co$_x$Ni$_{1-x}$(HCOO)$_3$
M Geers, O Fabelo, MJ Cliffe, L Cañadillas-Delgado
(2024)