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- Currently displaying 1741 - 1760 of 29849 publications
Ganglioside Lipids Inhibit the Aggregation of the Alzheimer’s Related Peptide Amyloid-β
(2023)
(doi: 10.1101/2023.09.10.556751)
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model
J Chem Theory Comput
(2023)
19
6805
(doi: 10.1021/acs.jctc.3c00575)
The Implications of Particle Morphology on the Capacity Retention, Side Reactions, and Impedance Build-Up of Nickel-Rich NCMs upon Cycling in Full-Cells: Poly- vs. Single-Crystalline NCM851005
Journal of the Electrochemical Society
(2023)
170
090505
(doi: 10.1149/1945-7111/acf3a1)
Energy landscapes for proteins described by the UNRES coarse-grained potential.
Biophysical Chemistry
(2023)
303
107107
(doi: 10.1016/j.bpc.2023.107107)
Global analysis of energy landscapes for materials modeling: A test case for C60
The Journal of Chemical Physics
(2023)
159
104107
(doi: 10.1063/5.0167857)
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon
Journal of hazardous materials
(2023)
460
132520
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
Physical Review B
(2023)
108
115112
(doi: 10.1103/PhysRevB.108.115112)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
(2023)
(doi: 10.48550/arxiv.2309.03161)
Fully First-Principles Surface Spectroscopy with Machine Learning.
Journal of Physical Chemistry Letters
(2023)
14
8175
(doi: 10.1021/acs.jpclett.3c01989)
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
J Am Chem Soc
(2023)
145
20355
(doi: 10.1021/jacs.3c05486)
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
QRB Discovery
(2023)
4
e7
(doi: 10.1017/qrd.2023.5)
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR-II Photothermal Conversion for E. coli-Responsive Photothermal Therapy.
Angew Chem Int Ed Engl
(2023)
62
e202308513
(doi: 10.1002/anie.202308513)
Author Correction: Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores.
Nature Biomedical Engineering
(2023)
8
335
(doi: 10.1038/s41551-023-01099-x)
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room-Temperature Solvated Ionic Liquid
Chemelectrochem
(2023)
11
e202300381
(doi: 10.1002/celc.202300381)
Effects of Processing‐Induced Contamination on Organic Electronic Devices
Small methods
(2023)
7
e2300476
(doi: 10.1002/smtd.202300476)
Of hopeful narratives and historical injustices - An analysis of just transition narratives in European coal regions
Energy Research & Social Science
(2023)
104
103263
(doi: 10.1016/j.erss.2023.103263)
Vitamin B12 bioaccumulation in Chlorella vulgaris grown on food waste-derived anaerobic digestate
Algal Research
(2023)
75
103290
(doi: 10.1016/j.algal.2023.103290)
Editorial overview: Artificial intelligence (AI) methodology in structural biology.
Current Opinion in Structural Biology
(2023)
82
102676
(doi: 10.1016/j.sbi.2023.102676)
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows
Journal of Chemical Physics
(2023)
159
124801
(doi: 10.1063/5.0156845)
Electrochemical and genetic tools for analysing and engineering bioenergetic processes in cyanobacteria
(2023)
(doi: 10.17863/CAM.104807)