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- Currently displaying 2621 - 2640 of 30196 publications
Conformational changes in protein kinase A along its activation cycle are rooted in the folding energetics of cyclic-nucleotide binding domains
Journal of Biological Chemistry
(2023)
299
104790
(doi: 10.1016/j.jbc.2023.104790)
TREXIO: A file format and library for quantum chemistry.
The Journal of Chemical Physics
(2023)
158
174801
(doi: 10.1063/5.0148161)
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
(2023)
(doi: 10.17863/CAM.107219)
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods.
J Phys Chem Lett
(2023)
14
4440
(doi: 10.1021/acs.jpclett.3c00494)
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W; $X$=S, Se) Monolayers
(2023)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
The journal of physical chemistry. A
(2023)
127
4538
(doi: 10.1021/acs.jpca.3c00603)
A Photoredox Reaction for the Selective Modification of 5-Carboxycytosine in DNA.
Journal of the American Chemical Society
(2023)
145
10505
(doi: 10.1021/jacs.2c12558)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering.
Journal of the American Chemical Society
(2023)
145
10712
(doi: 10.1021/jacs.3c00971)
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions
J Am Chem Soc
(2023)
145
10790
(doi: 10.1021/jacs.3c01960)
Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation
Biophys J
(2023)
122
2475
(doi: 10.1016/j.bpj.2023.04.027)
Trapping of Photoluminescent Kinetic Intermediates During High-Concentration Synthesis of Non-Emissive Metal-Organic Frameworks
(2023)
(doi: 10.26434/chemrxiv-2023-1k3bw)
Diffusion-assisted displacive transformation in Yttrium-doped Sb2Te3 phase change materials
Acta Materialia
(2023)
249
118809
Early detection of COPD patients' symptoms with personal environmental sensors: a remote sensing framework using probabilistic latent component analysis with linear dynamic systems
Neural Computing and Applications
(2023)
35
17247
(doi: 10.1007/s00521-023-08554-5)
Characterisation of neurodegenerative diseases derived protein aggregates using improved single-molecule pull-down
(2023)
(doi: 10.17863/CAM.106192)
AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering
(2023)
(doi: 10.1101/2023.04.28.538712)
The Structural Stability Limit of Layered Lithium Transition Metal Oxides Due to Oxygen Release at High State of Charge and Its Dependence on the Nickel Content
Journal of the Electrochemical Society
(2023)
170
030506
(doi: 10.1149/1945-7111/acbf80)
The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery
Chemistry of Materials
(2023)
35
3582
Secondary Bracing Ligands Drive Heteroleptic Cuboctahedral PdII 12 Cage Formation
J Am Chem Soc
(2023)
145
9965
(doi: 10.1021/jacs.3c00661)
Surfaces for Study of Receptor Dynamics on T Cells.
Methods Mol Biol
(2023)
2654
41
(doi: 10.1007/978-1-0716-3135-5_3)