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- Currently displaying 2781 - 2800 of 30391 publications
Energy landscapes and heat capacity signatures for peptides correlate with phase separation propensity
(2023)
(doi: 10.1101/2023.05.05.539523)
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)
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods
Journal of Physical Chemistry Letters
(2023)
14
4440
(doi: 10.1021/acs.jpclett.3c00494)
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
(2023)
(doi: 10.17863/CAM.107219)
A Photoredox Reaction for the Selective Modification of 5-Carboxycytosine in DNA
J Am Chem Soc
(2023)
145
10505
(doi: 10.1021/jacs.2c12558)
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 Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W; $X$=S, Se) Monolayers
(2023)
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)
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering
J Am Chem Soc
(2023)
145
10712
(doi: 10.1021/jacs.3c00971)
Trapping of Photoluminescent Kinetic Intermediates During High-Concentration Synthesis of Non-Emissive Metal-Organic Frameworks
(2023)
(doi: 10.26434/chemrxiv-2023-1k3bw)
Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation.
Biophysical Journal
(2023)
122
2475
(doi: 10.1016/j.bpj.2023.04.027)
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 & 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)
Surfaces for Study of Receptor Dynamics on T Cells.
Methods Mol Biol
(2023)
2654
41
(doi: 10.1007/978-1-0716-3135-5_3)
The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery
Chemistry of Materials
(2023)
35
3582
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)