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- Currently displaying 1941 - 1960 of 29670 publications
Exploring the parameter space of an endohedral atom in a cylindrical cavity.
J Chem Phys
(2023)
159
164308
(doi: 10.1063/5.0170010)
Machine Learning Nucleation Collective Variables with Graph Neural Networks.
Journal of chemical theory and computation
(2023)
20
1600
(doi: 10.1021/acs.jctc.3c00722)
Microfluidic antibody profiling after repeated SARS-CoV-2 vaccination links antibody affinity and concentration to impaired immunity and variant escape in patients on anti-CD-20 therapy
(2023)
(doi: 10.1101/2023.10.22.563481)
De novo design of knotted tandem repeat proteins
Nat Commun
(2023)
14
6746
(doi: 10.1038/s41467-023-42388-y)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
The Journal of Chemical Physics
(2023)
159
164101
(doi: 10.1063/5.0158783)
Molecular mechanism of α-synuclein aggregation on lipid membranes revealed
(2023)
(doi: 10.1101/2023.10.20.563279)
Thesis Access Confirmation Form
(2023)
Multicolor electrochromic polymers based on butterfly-shaped monomers for the visualization of energy storage
Electrochimica Acta
(2023)
466
143071
Exploiting the Catenane Mechanical Bond Effect for Selective Halide Anion Transmembrane Transport
Angewandte Chemie International Edition
(2023)
62
e202312745
(doi: 10.1002/anie.202312745)
Mixed-Cation Vacancy-Ordered Perovskites (Cs2Ti1-x Sn x X6; X = I or Br): Low-Temperature Miscibility, Additivity, and Tunable Stability
Journal of Physical Chemistry C
(2023)
127
21399
(doi: 10.1021/acs.jpcc.3c05204)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA DICTrank
(2023)
(doi: 10.1101/2023.10.15.562398)
Scientific Machine Learning of 2D Perovskite Nanosheet Formation.
J Am Chem Soc
(2023)
145
23076
(doi: 10.1021/jacs.3c05984)
Importance of electronic correlations in exploring the exotic phase diagram of layered LixMnO2
Physical Review B
(2023)
108
165124
(doi: 10.1103/PhysRevB.108.165124)
Morphology-Dependent Investigation of Li-ion Insertion into Single Crystal Hematite α-Fe2O3 Nanostructures
The Journal of Physical Chemistry C
(2023)
127
20608
(doi: 10.1021/acs.jpcc.3c04966)
An automated single-molecule FRET platform for high-content, multiwell plate screening of biomolecular conformations and dynamics.
Nat Commun
(2023)
14
6511
(doi: 10.1038/s41467-023-42232-3)
Dynamic Lone Pairs and Fluoride-Ion Disorder in Cubic-BaSnF4
J Am Chem Soc
(2023)
145
23739
(doi: 10.1021/jacs.3c08232)
High-performance electrochromic supercapacitor based on polyoxotitanates/conjugated polymer hybrid films for visualization for the energy status
Journal of Power Sources
(2023)
581
233490
Identification of phase separating proteins associated with human disease.
Nature reviews. Molecular cell biology
(2023)
25
5
(doi: 10.1038/s41580-023-00672-1)