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- Currently displaying 2041 - 2060 of 29292 publications
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A
Reflection on a Large Language Model Hackathon
(2023)
Enantiopure FeII 4L4 cages bind steroids stereoselectively
Chem
(2023)
9
1549
(doi: 10.1016/j.chempr.2023.03.011)
Optimizing Jastrow factors for the transcorrelated method.
The Journal of Chemical Physics
(2023)
158
224105
(doi: 10.1063/5.0147877)
WITHDRAWN: Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736]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)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
(2023)
Synthesis of sp3-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
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)
Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers †
Chem Sci
(2023)
14
6522
(doi: 10.1039/d3sc02151c)
Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”
The Journal of Physical Chemistry C
(2023)
127
11419
(doi: 10.1021/acs.jpcc.3c03075)
Fragment merging strategies with known pyrimidine scaffolds targeting dihydrofolate reductase from Mycobacterium tuberculosis
ChemMedChem
(2023)
18
e202300240
(doi: 10.1002/cmdc.202300240)
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)
C13 NMR study of the electronic structure of lithiated graphite
Physical Review Materials
(2023)
7
065402
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)
Stable and scalable computation of state visitation probabilities in finite Markov chains
J Chem Phys
(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
Quantifying collective interactions in biomolecular phase separation
(2023)
(doi: 10.1101/2023.05.31.543137)
Merging bioactivity predictions from cell morphology and chemical fingerprint models using similarity to training data.
Journal of cheminformatics
(2023)
15
56
(doi: 10.1186/s13321-023-00723-x)
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)
Case report of a patient with unclassified tauopathy with molecular and neuropathological features of both progressive supranuclear palsy and corticobasal degeneration
Acta neuropathologica communications
(2023)
11
88
(doi: 10.1186/s40478-023-01584-z)