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  • Currently displaying 1521 - 1540 of 29853 publications
Author(s)
Publication title
Journal Name
Publication year
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-Like Molecules
E Gelžinytė, M Öeren, MD Segall, G Csányi
J Chem Theory Comput
(2023)
20
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)
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
D Hey
(2023)
Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD ( vol 30 , pg 1628 , 2023)
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
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
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
HGA Burton
(2023)
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
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
Development and application of chemical linking strategies for post-translational protein–protein conjugation
RJ Taylor
(2023)
pHbot: Self-Driven Robot for pH Adjustment of Viscous Formulations via Physics-informed-ML**
A Chitre, J Cheng, S Ahamed, RCM Querimit, B Zhu, K Wang, L Wang, K Hippalgaonkar, AA Lapkin
Chemistry–Methods
(2023)
4
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)
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
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules
E Gelžinytė, M Öeren, MD Segall, G Csányi
(2023)
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction
SJ Cobb, S Rodríguez-Jiménez, E Reisner
Angewandte Chemie (International ed. in English)
(2023)
63
Connecting Biological and Synthetic Approaches for Electrocatalytic CO2 Reduction
SJ Cobb, S Rodríguez‐Jiménez, E Reisner
Angewandte Chemie
(2023)
136
Effect of Ionic Association in the Catalytic Mechanism of Redox Mediators for Li-air Batteries: a Theoretical Framework
G Horwitz, V Kunz, S Niblett, C Grey
(2023)
Synergistic Degradation Mechanism in Single Crystal Ni-Rich NMC//Graphite Cells
GJP Fajardo, E Fiamegkou, JA Gott, H Wang, I Temprano, ID Seymour, MJW Ogley, AS Menon, IEL Stephens, M Ans, T-L Lee, PK Thakur, WM Dose, MFL De Volder, CP Grey, LFJ Piper
ACS Energy Letters
(2023)
8
An atomic surface site interaction point description of non-covalent interactions.
MC Storer, KJ Zator, DP Reynolds, CA Hunter
Chemical Science
(2023)
15
Algorithmic Approaches for Context-Informed Reaction Prediction
D Wigh
(2023)
Superstructure and Correlated Na+ Hopping in a Layered Mg-substituted Sodium Manganate Battery Cathode are driven by Local Electroneutrality
EN Bassey, ID Seymour, JD Bocarsly, DA Keen, G Pintacuda, CP Grey
Chemistry of Materials
(2023)
35