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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1161 - 1180 of 29380 publications
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations
B Baillif, J Cole, I Giangreco, P McCabe, A Bender
– J Cheminform
(2023)
15,
124
(doi: 10.1186/s13321-023-00794-w)
Rafting of Growing Antarctic Sea Ice Enhances In‐Ice Biogeochemical Activity in Winter
RR Audh, SE Fawcett, S Johnson, T Rampai, M Vichi
– Journal of Geophysical Research - Oceans
(2023)
128,
(doi: 10.1029/2023jc019925)
Impacts of supercapacitor electrode structure on electrochemical CO2 capture
Z Xu, G Mapstone, Z Coady, M Wang, T Spreng, X Liu, A Forse
(2023)
(doi: 10.26434/chemrxiv-2023-nj817)
Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemistry-transport model using Cloud-J v7.3e
WE Van Caspel, D Simpson, JE Jonson, AMK Benedictow, Y Ge, A Di Sarra, G Pace, M Vieno, HL Walker, MR Heal
– Geoscientific Model Development
(2023)
16,
7433
(doi: 10.5194/gmd-16-7433-2023)
Structural Disorder Determines Capacitance in Nanoporous Carbons
X Liu, D Lyu, C Merlet, M Leesmith, X Hua, Z Xu, C Grey, A Forse
(2023)
(doi: 10.26434/chemrxiv-2023-bd24m)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2023)
(doi: 10.48550/arxiv.2312.12530)
(link to publication)
Diamond-Like Carbon: A Surface for Extreme, High-Wear Environments.
N Sharifi, H Smith, D Madden, T Kehoe, G Wu, L Yang, RJL Welbourn, E G Fernandez, SM Clarke
– Langmuir
(2023)
40,
52
(doi: 10.1021/acs.langmuir.3c01438)
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors.
R Chandra, RI Horne, M Vendruscolo
– Journal of chemical theory and computation
(2023)
20,
469
(doi: 10.1021/acs.jctc.3c01224)
RASP: Optimal single fluorescent puncta detection in complex cellular backgrounds
B Fu, E Brock, R Andrews, J Breiter, R Tian, C Toomey, J Lachica, T Lashley, M Ryten, N Wood, M Vendruscolo, S Gandhi, L Weiss, J Beckwith, S Lee
(2023)
(doi: 10.1101/2023.12.18.572148)
Nonspecificity fingerprints for clinical-stage antibodies in solution.
TW Herling, G Invernizzi, H Ausserwöger, JR Bjelke, T Egebjerg, S Lund, N Lorenzen, TPJ Knowles
– Proceedings of the National Academy of Sciences
(2023)
120,
e2306700120
(doi: 10.1073/pnas.2306700120)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
E Gelžinytė, M Öeren, MD Segall, G Csányi
– Journal of chemical theory and computation
(2023)
20,
164
(doi: 10.1021/acs.jctc.3c00710)
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
D Hey
(2023)
(doi: 10.17863/CAM.106755)
Cerebral organoids with chromosome 21 trisomy secrete Alzheimer’s disease related soluble aggregates detectable by single-molecule-fluorescence and super-resolution microscopy
E Fertan, D Böken, A Murray, JSH Danial, JYL Lam, Y Wu, PA Goh, I Alić, MR Cheetham, E Lobanova, YP Zhang, D Nižetić, D Klenerman
– Molecular Psychiatry
(2023)
29,
369
(doi: 10.1038/s41380-023-02333-3)
Publisher Correction: Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD.
S Basu, O Shukron, D Hall, P Parutto, A Ponjavic, D Shah, W Boucher, D Lando, W Zhang, N Reynolds, LH Sober, A Jartseva, R Ragheb, X Ma, J Cramard, R Floyd, J Balmer, TA Drury, AR Carr, L-M Needham, A Aubert, G Communie, K Gor, M Steindel, L Morey, E Blanco, T Bartke, L Di Croce, I Berger, C Schaffitzel, SF Lee, TJ Stevens, D Klenerman, BD Hendrich, D Holcman, ED Laue
– Nature Structural and Molecular Biology
(2023)
31,
390
(doi: 10.1038/s41594-023-01179-1)
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
HGA Burton
(2023)
(doi: 10.48550/arxiv.2312.09761)
(link to publication)
Employment of Alkoxy Sidechains in Semicrystalline Semiconducting Polymers for Ambient-Stable p‑Doped Conjugated Polymers
T Kurosawa, Y Yamashita, Y Kobayashi, CP Yu, S Kumagai, T Mikie, I Osaka, S Watanabe, J Takeya, T Okamoto
– Macromolecules
(2023)
57,
328
(doi: 10.1021/acs.macromol.3c00211)
The sensitivity of Southern Ocean atmospheric dimethyl sulfide (DMS) to modeled oceanic DMS concentrations and emissions
YA Bhatti, LE Revell, AJ Schuddeboom, AJ McDonald, AT Archibald, J Williams, AU Venugopal, C Hardacre, E Behrens
– Atmospheric Chemistry and Physics
(2023)
23,
15181
(doi: 10.5194/acp-23-15181-2023)
Jahn-Teller distortions and phase transitions in LiNiO2: Insights from ab initio molecular dynamics and variable-temperature X-ray diffraction
AR Genreith-Schriever, A Alexiu, GS Phillips, CS Coates, LAV Nagle-Cocco, JD Bocarsly, FN Sayed, SE Dutton, CP Grey
(2023)
(doi: 10.26434/chemrxiv-2023-q3cmz)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
E Gelžinytė, M Öeren, MD Segall, G Csányi
(2023)
(doi: 10.26434/chemrxiv-2023-l85nf-v2)
Efficient Cu2O Photocathodes for Aqueous Photoelectrochemical CO2 Reduction to Formate and Syngas
M Xia, L Pan, Y Liu, J Gao, J Li, M Mensi, K Sivula, SM Zakeeruddin, D Ren, M Grätzel
– Journal of the American Chemical Society
(2023)
145,
27939
(doi: 10.1021/jacs.3c06146)

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