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  • Currently displaying 1961 - 1980 of 29853 publications
Author(s)
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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)
Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736] (Redox Biology (2023) 63, (S2213231723001374), (10.1016/j.redox.2023.102736))
NB Mañucat-Tan, A Chowdhury, R Cataldi, RZ Abdullah, JR Kumita, AR Wyatt
Redox biology
(2023)
Enantiopure FeII4L4 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
Journal of Chemical Physics
(2023)
158
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
Synthesis of sp3-rich heterocyclic frameworks by a divergent synthesis strategy.
KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring
Organic & Biomolecular Chemistry
(2023)
21
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
The 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
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
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
Stable and scalable computation of state visitation probabilities in finite Markov chains.
DJ Sharpe, DJ Wales
The 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
J Chem Phys
(2023)
158
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation.
M Vendruscolo
Expert opinion on drug discovery
(2023)
18
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
C13 NMR study of the electronic structure of lithiated graphite
DC Maxwell, CA O'Keefe, C Xu, CP Grey
Physical Review Materials
(2023)
7
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 and deposition 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
Cyclization of an Achiral Flipping Panel to Homochiral Tubes Exhibiting Circularly Polarized Luminescence
M Lin, L Bian, Q Chen, H Xu, Z Liu, K Zhu
Angewandte Chemie (International ed. in English)
(2023)
62