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  • Currently displaying 2021 - 2040 of 29265 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].
NB Mañucat-Tan, A Chowdhury, R Cataldi, RZ Abdullah, JR Kumita, AR Wyatt
Redox biology
(2023)
Optimizing Jastrow factors for the transcorrelated method.
JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi
J Chem Phys
(2023)
158
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DC Leong, A Jaffe, AC Forse
(2023)
Enantiopure FeII4L4 cages bind steroids stereoselectively
Li, TK Ronson, R Lavendomme, Z Huang, C Fuertes-Espinosa, D Zhang, JR Nitschke
Chem
(2023)
9
Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy
KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring
Organic & Biomolecular Chemistry
(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
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 decadal 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
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
Chem Sci
(2023)
14
Stable and scalable computation of state visitation probabilities in finite Markov chains
DJ Sharpe, DJ Wales
The Journal of chemical physics
(2023)
158
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation.
M Vendruscolo
Expert Opin Drug Discov
(2023)
18
C13 NMR study of the electronic structure of lithiated graphite
DC Maxwell, CA O'Keefe, C Xu, CP Grey
Physical Review Materials
(2023)
7
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
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
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
J Cheminform
(2023)
15
The Development of Peroxide-Responsive Arylboronic Acids for Antibody-Drug Conjugates and Small-Molecule Prodrugs
N Ashman
(2023)