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- Currently displaying 2261 - 2280 of 29657 publications
A computational suite for the structural and functional characterization of amyloid aggregates.
Cell Rep Methods
(2023)
Volume 3
100499
(doi: 10.1016/j.crmeth.2023.100499)
Mechanistic Studies on Iron-Catalyzed Dehydrogenation of Amines Involving Cyclopentadienone Iron Complexes─Evidence for Stepwise Hydride and Proton Transfer
ACS Catalysis
(2023)
13
8477
(doi: 10.1021/acscatal.3c01779)
Topological invariance in whiteness optimisation.
Communications physics
(2023)
6
137
(doi: 10.1038/s42005-023-01234-9)
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
(2023)
Enantiopure FeII4L4 cages bind steroids stereoselectively
Chem
(2023)
9
1549
(doi: 10.1016/j.chempr.2023.03.011)
WITHDRAWN: Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736]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)
Optimizing Jastrow factors for the transcorrelated method.
The Journal of chemical physics
(2023)
158
224105
(doi: 10.1063/5.0147877)
Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics
Biotechnology Advances
(2023)
67
108192
Synthesis of sp3-rich heterocyclic frameworks by a divergent synthesis strategy.
Organic & Biomolecular Chemistry
(2023)
21
4591
(doi: 10.1039/d3ob00351e)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
(2023)
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
Chemical science
(2023)
14
6522
(doi: 10.1039/d3sc02151c)
Correction: Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT (J. Phys. Chem. C (2023) 127: 6 (3032-3046) DOI: 10.1021/acs.jpcc.2c07263)
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
The Journal of chemical physics
(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.
J Infect Dis
(2023)
228
723
(doi: 10.1093/infdis/jiad135)
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation
Expert Opinion on Drug Discovery
(2023)
18
881
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)
Quantifying collective interactions in biomolecular phase separation
(2023)
(doi: 10.1101/2023.05.31.543137)