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- Currently displaying 2021 - 2040 of 29265 publications
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A
Reflection on a Large Language Model Hackathon
(2023)
Corrigendum to 'Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1-42' [Redox Biol. 63 (2023) 102736].
Redox biology
(2023)
102768
(doi: 10.1016/j.redox.2023.102768)
Optimizing Jastrow factors for the transcorrelated method.
J Chem Phys
(2023)
158
224105
(doi: 10.1063/5.0147877)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
(2023)
Enantiopure FeII4L4 cages bind steroids stereoselectively
Chem
(2023)
9
1549
(doi: 10.1016/j.chempr.2023.03.011)
Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy
Organic & Biomolecular Chemistry
(2023)
21
4591
(doi: 10.1039/d3ob00351e)
Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics
Biotechnology Advances
(2023)
67
108192
Fragment merging strategies with known pyrimidine scaffolds targeting dihydrofolate reductase from Mycobacterium tuberculosis
ChemMedChem
(2023)
18
e202300240
(doi: 10.1002/cmdc.202300240)
Seasonal, interannual and decadal variability of tropospheric ozone in the North Atlantic: comparison of UM-UKCA and remote sensing observations for 2005–2018
Atmospheric Chemistry and Physics
(2023)
23
6169
(doi: 10.5194/acp-23-6169-2023)
Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”
Journal of Physical Chemistry C
(2023)
127
11419
(doi: 10.1021/acs.jpcc.3c03075)
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers
Chem Sci
(2023)
14
6522
(doi: 10.1039/d3sc02151c)
Stable and scalable computation of state visitation probabilities in finite Markov chains
The Journal of chemical physics
(2023)
158
211103
(doi: 10.1063/5.0154772)
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation.
Expert Opin Drug Discov
(2023)
18
881
C13 NMR study of the electronic structure of lithiated graphite
Physical Review Materials
(2023)
7
065402
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
J Chem Phys
(2023)
158
214503
(doi: 10.1063/5.0137052)
De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection.
The Journal of Infectious Diseases
(2023)
228
723
(doi: 10.1093/infdis/jiad135)
Quantifying collective interactions in biomolecular phase separation
(2023)
(doi: 10.1101/2023.05.31.543137)
Global sensitivities of reactive N and S gas and particle concentrations anddeposition to precursor emissions reductions
Atmospheric Chemistry and Physics
(2023)
23
6083
(doi: 10.5194/acp-23-6083-2023)
Merging Bioactivity Predictions from Cell Morphology and Chemical Fingerprint Models Using Similarity to Training Data
J Cheminform
(2023)
15
56
(doi: 10.1186/s13321-023-00723-x)
The Development of Peroxide-Responsive Arylboronic Acids for Antibody-Drug Conjugates and Small-Molecule Prodrugs
(2023)
(doi: 10.17863/CAM.104039)