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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 801 - 820 of 29386 publications
Stimulating Creativity Through Cognitive Symmetry Breaking: Tagorean Theory of Sustainable Human Development
S Ghosh
(2024)
(doi: 10.35542/osf.io/pcxhb)
Energy landscapes for the quantum approximate optimization algorithm
C Boy, D Wales
– Physical Review A
(2024)
109,
062602
(doi: 10.1103/physreva.109.062602)
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,
29844
(doi: 10.1021/acsami.4c04336)
Energy Landscapes and Structural Ensembles of Glucagon-like Peptide-1 Monomers
AD Keith, EP Brichtová, JG Barber, DJ Wales, SE Jackson, K Röder
– The journal of physical chemistry. B
(2024)
128,
5601
(doi: 10.1021/acs.jpcb.4c01794)
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,
4695
(doi: 10.1038/s41467-024-49028-z)
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,
209
(doi: 10.1016/j.greenca.2024.05.001)
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,
6081
(doi: 10.1021/acs.jpclett.4c01030)
The diversity ofSNCAtranscripts 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)
(doi: 10.1101/2024.05.30.596437)
Modular Approaches for the Synthesis of α-Azinyl Amines and Related Scaffolds
AA Rafaniello
(2024)
(doi: 10.17863/CAM.111484)
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
– Sci Adv
(2024)
10,
eadn2208
(doi: 10.1126/sciadv.adn2208)
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,
2411
(doi: 10.31635/ccschem.024.202404281)
Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions
Z Liu, CZ Jiang, AD Bond, NJ Tosca, JD Sutherland
– Chemical Communications
(2024)
60,
6528
(doi: 10.1039/d4cc01086h)
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,
64
(doi: 10.1186/s13321-024-00861-w)
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,
5796
(doi: 10.1021/acs.chemmater.4c01013)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
H Kaur, FD Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil
(2024)
(doi: 10.48550/arxiv.2405.20217)
Learning Electronic Polarizations in Aqueous Systems.
A Jana, S Shepherd, Y Litman, DM Wilkins
– J Chem Inf Model
(2024)
64,
4426
(doi: 10.1021/acs.jcim.4c00421)
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,
e2316206121
(doi: 10.1073/pnas.2316206121)
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)
(link to publication)
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,
2296
(doi: 10.1021/acschemneuro.4c00127)
An evolutionarily conserved mechanism controls reversible amyloids of pyruvate kinase via pH-sensing regions.
G Cereghetti, VM Kissling, LM Koch, A Arm, CC Schmidt, Y Thüringer, N Zamboni, P Afanasyev, M Linsenmeier, C Eichmann, S Kroschwald, J Zhou, Y Cao, DM Pfizenmaier, T Wiegand, R Cadalbert, G Gupta, D Boehringer, TPJ Knowles, R Mezzenga, P Arosio, R Riek, M Peter
– Developmental Cell
(2024)
59,
1876
(doi: 10.1016/j.devcel.2024.04.018)

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