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  • Currently displaying 2041 - 2060 of 29303 publications
Author(s)
Publication title
Journal Name
Publication year
Topological invariance in whiteness optimisation
JS Haataja, G Jacucci, TG Parton, L Schertel, S Vignolini
Communications Physics
(2023)
6
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, S Bringuier, LC Brinson, K Choudhary, D Circi, S Cox, WAD Jong, ML Evans, N Gastellu, J Genzling, MV Gil, AK Gupta, Z Hong, A Imran, S Kruschwitz, A Labarre, J Lála, T Liu, S Ma, S Majumdar, GW Merz, N Moitessier, E Moubarak, B Mouriño, B Pelkie, M Pieler, MC Ramos, B Ranković, SG Rodriques, JN Sanders, P Schwaller, M Schwarting, J Shi, B Smit, BE Smith, JV Herck, C Völker, L Ward, S Warren, B Weiser, S Zhang, X Zhang, GA Zia, A Scourtas, KJ Schmidt, I Foster, AD White, B Blaiszik
(2023)
WITHDRAWN: Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736]
NB Mañucat-Tan, A Chowdhury, R Cataldi, RZ Abdullah, JR Kumita, AR Wyatt
Redox biology
(2023)
Enantiopure FeII 4L4 cages bind steroids stereoselectively
Li, TK Ronson, R Lavendomme, Z Huang, C Fuertes-Espinosa, D Zhang, JR Nitschke
Chem
(2023)
9
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DC Leong, A Jaffe, AC Forse
(2023)
Optimizing Jastrow factors for the transcorrelated method.
JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi
The Journal of Chemical Physics
(2023)
158
Synthesis of sp3-rich heterocyclic frameworks by a divergent synthesis strategy
KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring
Org Biomol Chem
(2023)
21
Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics.
KT Pang, YS Yang, W Zhang, YS Ho, P Sormanni, TCT Michaels, I Walsh, S Chia
Biotechnology Advances
(2023)
67
Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”
BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, S Bernart, F Studt, J-D Grunwaldt
Journal of Physical Chemistry C
(2023)
127
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers †
Á García-Romero, D Miguel, DS Wright, CM Álvarez, R García-Rodríguez
Chemical science
(2023)
14
Fragment-Merging Strategies with Known Pyrimidine Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis.
T Kirkman, S Fun Tan, SM Chavez-Pacheco, A Hammer, C Abell, M Tosin, AG Coyne, MVB Dias
ChemMedChem
(2023)
18
Seasonal, interannual and decal variability of Tropospheric Ozone in the North Atlantic: Comparison of UM-UKCA and remote sensing observations for 2005-2018
MR Russo, BJ Kerridge, NL Abraham, J Keeble, BG Latter, R Siddans, J Weber, PT Griffiths, JA Pyle, AT Archibald
Atmospheric Chemistry and Physics
(2023)
23
C 13 NMR study of the electronic structure of lithiated graphite
DC Maxwell, CA O'Keefe, C Xu, CP Grey
Physical Review Materials
(2023)
7
De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection
M Rebelo, C Tang, AR Coelho, C Labão-Almeida, MM Schneider, L Tatalick, P Ruivo, MP de Miranda, A Gomes, T Carvalho, MJ Walker, H Ausserwoeger, J Pedro Simas, M Veldhoen, TPJ Knowles, D-A Silva, D Shoultz, GJL Bernardes
The Journal of Infectious Diseases
(2023)
228
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation
M Vendruscolo
Expert opinion on drug discovery
(2023)
18
Stable and scalable computation of state visitation probabilities in finite Markov chains
DJ Sharpe, DJ Wales
Journal of Chemical Physics
(2023)
158
Effect of the Solvent Quadrupolarizability on the Strength of the Hydrogen Bond: Theory vs Data for the Gibbs energy and Enthalpy of Homo- and Heteroassociation between Carboxylic Acids and Water
LJ Farren, N Sharifi, SM Clarke, RI Slavchov
The Journal of chemical physics
(2023)
158
Quantifying collective interactions in biomolecular phase separation
H Ausserwöger, D Qian, G Krainer, E de Csilléry, TJ Welsh, T Sneideris, TM Franzmann, S Qamar, NA Erkamp, J Nixon-Abell, M Kar, P St George-Hyslop, AA Hyman, S Alberti, RV Pappu, TPJ Knowles
(2023)
Global sensitivities of reactive N and S gas and particle concentrations anddeposition to precursor emissions reductions
Y Ge, M Vieno, DS Stevenson, P Wind, MR Heal
Atmospheric Chemistry and Physics
(2023)
23
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.
S Seal, H Yang, M-A Trapotsi, S Singh, J Carreras-Puigvert, O Spjuth, A Bender
Journal of cheminformatics
(2023)
15