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  • Currently displaying 1781 - 1800 of 29634 publications
Author(s)
Publication title
Journal Name
Publication year
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
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
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
Structural Disorder Determines Capacitance in Nanoporous Carbons
X Liu, D Lyu, C Merlet, M Leesmith, X Hua, Z Xu, C Grey, A Forse
(2023)
Impacts of supercapacitor electrode structure on electrochemical CO2 capture
Z Xu, G Mapstone, Z Coady, M Wang, T Spreng, X Liu, A Forse
(2023)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2023)
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 : the ACS journal of surfaces and colloids
(2023)
40
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
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
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)
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
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
D Hey
(2023)
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
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)
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)