Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 201 - 220 of 27863 publications

Preventing Degradation in a Flavin Mononucleotide-Based Redox Flow Battery: An NMR and EPR Study

D Hey, RB Jethwa, NL Farag, BLD Rinkel, EWW Zhao, CP Grey

– ECS Meeting Abstracts

(2023)

MA2023-02,

2865

(doi: 10.1149/ma2023-02592865mtgabs)

Operando ¹⁷o NMR Studies of Degradation in Li-Oxygen Batteries

J Ellison, CP Grey

– ECS Meeting Abstracts

(2023)

MA2023-02,

3404

(doi: 10.1149/ma2023-0283404mtgabs)

A Comprehensive Study on the Effect of Washing on Nickel-Rich Layered Transition Metal Oxides: Surface Characterization after Li⁺/H⁺-Exchange

R Wilhelm, S Oswald, T Kratky, LJ Reinschlüssel, M Piana, S Günther, HA Gasteiger

– ECS Meeting Abstracts

(2023)

MA2023-02,

393

(doi: 10.1149/ma2023-022393mtgabs)

Transient Short Circuit-Based Degradation of Lithium and Sodium Anode-Free Batteries

S Menkin, JB Fritzke, R Larner, CP Grey

– ECS Meeting Abstracts

(2023)

MA2023-02,

2896

(doi: 10.1149/ma2023-02602896mtgabs)

Monoclonal antibodies targeting cytotoxic α-synuclein oligomers: molecular properties and diagnostic potential

D Otzen, J Nielsen, J Lauritsen, J Pedersen, J Nowak, M Bendtsen, G Kleijwegt, M Schneider, G Krainer, T Knowles, L Goksøyr, P Khalifé, S Kaalund, S Aznar, M Kjærgaard, M Nielsen, F Sander, M Romero-Ramos

(2023)

(doi: 10.21203/rs.3.rs-3778118/v1)

Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations.

B Baillif, J Cole, I Giangreco, P McCabe, A Bender

– Journal of cheminformatics

(2023)

15,

124

(doi: 10.1186/s13321-023-00794-w)

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)

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)

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)

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,

(doi: 10.1021/acs.langmuir.3c01438)

RASP: Optimal single fluorescent puncta detection in complex cellular backgrounds

B Fu, EE Brock, R Andrews, JC Breiter, R Tian, CE Toomey, J Lachica, T Lashley, M Ryten, NW Wood, M Vendruscolo, S Gandhi, LE Weiss, JS Beckwith, SF Lee

(2023)

(doi: 10.1101/2023.12.18.572148)

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)

Nonspecificity fingerprints for clinical-stage antibodies in solution

TW Herling, G Invernizzi, H Ausserwöger, JR Bjelke, T Egebjerg, S Lund, N Lorenzen, TPJ Knowles

– Proc Natl Acad Sci U S A

(2023)

120,

e2306700120

(doi: 10.1073/pnas.2306700120)

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

– Mol Psychiatry

(2023)

(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

– Nat Struct Mol Biol

(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)

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