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- Currently displaying 4401 - 4420 of 30213 publications
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
Toxicology Letters
(2021)
350
S81
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
s17
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters
Journal of chemical theory and computation
(2021)
17
5684
(doi: 10.1021/acs.jctc.1c00589)
Thermodynamics and kinetics of crystallisation in deeply supercooled Stillinger-Weber silicon
(2021)
(doi: 10.48550/arxiv.2108.13749)
Modulating Chalcogen Bonding and Halogen Bonding Sigma-Hole Donor Atom Potency and Selectivity for Halide Anion Recognition.
Angew Chem Int Ed Engl
(2021)
60
21973
(doi: 10.1002/anie.202108591)
Visible light photocatalysts from low-grade iron ore: the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites
Environmental Science and Pollution Research
(2021)
29
6698
(doi: 10.1007/s11356-021-15972-2)
The Amyloid-β Pathway in Alzheimer’s Disease
Mol Psychiatry
(2021)
26
5481
(doi: 10.1038/s41380-021-01249-0)
Automated and Continuous-Flow Platform to Analyze Semiconductor-Metal Complex Hybrid Systems for Photocatalytic CO2 Reduction
ACS Catalysis
(2021)
11
11266
(doi: 10.1021/acscatal.1c02921)
Correlating Local Structure and Sodium Storage in Hard Carbon Anodes: Insights from Pair Distribution Function Analysis and Solid-State NMR
Journal of the American Chemical Society
(2021)
143
14274
(doi: 10.1021/jacs.1c06058)
Antibonding-Induced Anomalous Temperature Dependence of the Band Gap in Crystalline Ge2Sb2Te5
The Journal of Physical Chemistry C
(2021)
125
19537
(doi: 10.1021/acs.jpcc.1c05342)
Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater
(2021)
(doi: 10.5194/acp-22-2309-2022)
Cerebral Microdialysate Metabolite Monitoring using Mid-infrared Spectroscopy
Analytical Chemistry
(2021)
93
11929
(doi: 10.1021/acs.analchem.1c01149)
Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III–V/Si dual-junctions
APPLIED PHYSICS LETTERS
(2021)
119
083904
(doi: 10.1063/5.0060700)
High-Throughput Selection and Characterisation of Aptamers on Optical Next-Generation Sequencers.
International Journal of Molecular Sciences
(2021)
22
9202
(doi: 10.3390/ijms22179202)
Alpha synuclein only forms fibrils in vitro when larger than its critical size of 70 monomers.
ChemBioChem: a European journal of chemical biology
(2021)
22
2867
(doi: 10.1002/cbic.202100285)
Targeted modulation of protein liquid–liquid phase separation by evolution of amino-acid sequence
PLoS computational biology
(2021)
17
e1009328
(doi: 10.1371/journal.pcbi.1009328)