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  • Currently displaying 2161 - 2180 of 29303 publications
Author(s)
Publication title
Journal Name
Publication year
Conformational changes in protein kinase A along its activation cycle are rooted in the folding energetics of cyclic-nucleotide binding domains.
AK Chau, K Bracken, L Bai, D Pham, LL Good, RA Maillard
Journal of Biological Chemistry
(2023)
299
TREXIO: A file format and library for quantum chemistry.
E Posenitskiy, VG Chilkuri, A Ammar, M Hapka, K Pernal, R Shinde, EJ Landinez Borda, C Filippi, K Nakano, O Kohulák, S Sorella, P de Oliveira Castro, W Jalby, PL Ríos, A Alavi, A Scemama
Journal of Chemical Physics
(2023)
158
Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods.
P Pracht, C Bannwarth
Journal of Physical Chemistry Letters
(2023)
14
Design and Frabication of Optical Li+ Sensors for Application in Li-ion Batteries
H Francis
(2023)
A Photoredox Reaction for the Selective Modification of 5‑Carboxycytosine in DNA
BJ Mortishire-Smith, SM Becker, A Simeone, L Melidis, S Balasubramanian
Journal of the American Chemical Society
(2023)
145
A Hybrid-DFT Study of Intrinsic Point Defects in $MX_2$ ($M$=Mo, W; $X$=S, Se) Monolayers
A Akkoush, Y Litman, M Rossi
(2023)
Excited States, Symmetry Breaking, and Unphysical Solutions in State-Specific CASSCF Theory
A Marie, HGA Burton
The Journal of Physical Chemistry A
(2023)
127
Expanding Transition Metal-Mediated Bioorthogonal Decaging to Include C-C Bond Cleavage Reactions
GM Dal Forno, E Latocheski, A Beatriz Machado, J Becher, L Dunsmore, AL St John, BL Oliveira, CD Navo, G Jiménez-Osés, R Fior, JB Domingos, GJL Bernardes
Journal of the American Chemical Society
(2023)
145
Aza-Cibalackrot: Turning on Singlet Fission Through Crystal Engineering.
M Purdy, JR Walton, KJ Fallon, DTW Toolan, P Budden, W Zeng, MK Corpinot, D-K Bučar, L van Turnhout, R Friend, A Rao, H Bronstein
J Am Chem Soc
(2023)
145
Glucagon-like peptide 1 aggregates into low-molecular-weight oligomers off-pathway to fibrillation
E Přáda Brichtová, M Krupová, P Bouř, V Lindo, A Gomes Dos Santos, SE Jackson
Biophysical Journal
(2023)
122
Trapping of Photoluminescent Kinetic Intermediates During High-Concentration Synthesis of Non-Emissive Metal-Organic Frameworks
A Halder, D Bain, T Pitt, Z Shi, J Oktawiec, J-H Lee, S Tsangari, M Ng, J Fuentes-Rivera, A Forse, T Runcevski, D Muller, A Musser, P Milner
(2023)
High-density volumetric super-resolution microscopy
S Daly, JF Fernandes, E Bruggeman, A Handa, R Peters, S Benaissa, B Zhang, JS Beckwith, EW Sanders, RR Sims, D Klenerman, SJ Davis, K O’Holleran, SF Lee
(2023)
Diffusion-assisted displacive transformation in Yttrium-doped Sb2Te3 phase change materials
K Li, B Liu, J Zhou, SR Elliott, Z Sun
Acta Materialia
(2023)
249
Characterisation of neurodegenerative diseases derived protein aggregates using improved single-molecule pull-down
Y Zhang
(2023)
AbNatiV: VQ-VAE-based assessment of antibody and nanobody nativeness for hit selection, humanisation, and engineering
A Ramon, M Ali, M Atkinson, A Saturnino, K Didi, C Visentin, S Ricagno, X Xu, M Greenig, P Sormanni
(2023)
Understanding Lithium-Ion Dynamics in Single-Ion and Salt-in- Polymer Perfluoropolyethers and Polyethyleneglycol Electrolytes Using Solid-State NMR
CV Amanchukwu, AB Gunnarsdóttir, S Choudhury, TL Newlove, PCMM Magusin, Z Bao, CP Grey
Macromolecules
(2023)
56
Secondary Bracing Ligands Drive Heteroleptic Cuboctahedral PdII12 Cage Formation.
CF Espinosa, TK Ronson, JR Nitschke
J Am Chem Soc
(2023)
145
The Intermetallic Reactivity Database: Compiling Chemical Pressure and Electronic Metrics toward Materials Design and Discovery
JS Van Buskirk, JD Kraus, DC Fredrickson
Chemistry of Materials
(2023)
35
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
S Oswald, HA Gasteiger
Journal of The Electrochemical Society
(2023)
170
Surfaces for Study of Receptor Dynamics on T Cells
J McColl, D Klenerman
Methods in Molecular Biology
(2023)
2654