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  • Currently displaying 3621 - 3640 of 30279 publications
Author(s)
Publication title
Journal Name
Publication year
Corrigendum to ‘Surface passivation and oxide encapsulation to improve optical properties of a single GaAs quantum dot close to the surface’. [Appl. Surf. Sci. 532 (2020) 147360]
S Manna, H Huang, SFC da Silva, C Schimpf, MB Rota, B Lehner, M Reindl, R Trotta, A Rastelli
Applied Surface Science
(2022)
585
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design
SE Thomas, WJ McCarthy, J El Bakali, KP Brown, SY Kim, M Blaszczyk, V Mendes, C Abell, RA Floto, AG Coyne, TL Blundell
Front Mol Biosci
(2022)
9
Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy
ZF Brotzakis, T Löhr, S Truong, SE Hoff, M Bonomi, M Vendruscolo
(2022)
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations.
S Lee, K Ermanis, JM Goodman
Chemical Science
(2022)
13
Alternating one-phase and two-phase crystallization mechanisms in octahedral patchycolloids
A Garaizar, T Higginbotham, I Sanchez-Burgos, A tejedor, E Sanz, JR ESPINOSA
(2022)
Long-term solar water and CO2 splitting with photoelectrochemical BiOI-BiVO4 tandems.
V Andrei, RA Jagt, M Rahaman, L Lari, VK Lazarov, JL MacManus-Driscoll, RLZ Hoye, E Reisner
Nat Mater
(2022)
21
Investigating the structural changes due to adenosine methylation of the Kaposi's sarcoma-associated herpes virus ORF50 transcript.
K Röder, AM Barker, A Whitehouse, S Pasquali
PLOS Computational Biology
(2022)
18
Nested sampling for physical scientists
G Ashton, N Bernstein, J Buchner, X Chen, G Csányi, A Fowlie, F Feroz, M Griffiths, W Handley, M Habeck, E Higson, M Hobson, A Lasenby, D Parkinson, LB Pártay, M Pitkin, D Schneider, JS Speagle, L South, J Veitch, P Wacker, DJ Wales, D Yallup
Nature Reviews Methods Primers
(2022)
2
Upgrading the Protein Formulation Toolbox through Predictive and Explanatory Models
N Warner
(2022)
Elucidating the Implications of Morphology on Fundamental Characteristics of Nickel-Rich NCMs: Cracking, Gassing, Rate Capability, and Thermal Stability of Poly-and Single-Crystalline NCM622
S Oswald, M Bock, HA Gasteiger
Journal of The Electrochemical Society
(2022)
169
Towards understanding solvation effects on the conformational entropy of non-rigid molecules
J Gorges, S Grimme, A Hansen, P Pracht
Phys Chem Chem Phys
(2022)
24
Polysaccharide metabolism regulates structural colour in bacterial colonies.
GT van de Kerkhof, L Schertel, L Catòn, TG Parton, KH Müller, HF Greer, CJ Ingham, S Vignolini
Journal of The Royal Society Interface
(2022)
19
Deep-sea discovery and detective work: towards solving the hemicalide structural enigma through computational NMR analysis and stereocontrolled synthesis.
NYS Lam, I Paterson
European Journal of Organic Chemistry
(2022)
2022
Multifunctional "Dy(hfa)3•glyme" adducts: Synthesis and magnetic/luminescent behaviour
AL Pellegrino, C Mezzalira, F Mazzer, LC Tazi, A Caneschi, D Gatteschi, IL Fragalà, A Speghini, L Sorace, G Malandrino
Inorganica Chimica Acta
(2022)
535
Evaluation guidelines for machine learning tools in the chemical sciences
A Bender, N Schneider, M Segler, W Patrick Walters, O Engkvist, T Rodrigues
Nature reviews. Chemistry
(2022)
6
Rapid differentiation of SARS-CoV-2 variants on a nanotechnology enhanced DNA-chip
H Dai, Y Liu, Y Yang, G Wang, R Hu, P-L Shao, J Tang, Z Xu, Y Liu, H Xiao, J Lv, J Yang, D Niu, T Meijie, J Yuan, B Zhang
(2022)
FuzDrop on AlphaFold: visualizing the sequence-dependent propensity of liquid-liquid phase separation and aggregation of proteins
A Hatos, SCE Tosatto, M Vendruscolo, M Fuxreiter
Nucleic acids research
(2022)
50
Toward Rapid Aspartic Acid Isomer Localization in Therapeutic Peptides Using Cyclic Ion Mobility Mass Spectrometry.
K Gibson, DA Cooper-Shepherd, E Pallister, SE Inman, SE Jackson, V Lindo
Journal of the American Society for Mass Spectrometry
(2022)
33
Ni-O-redox, oxygen loss and singlet oxygen formation in LiNiO$_2$ cathodes for Li-ion batteries
AR Genreith-Schriever, H Banerjee, AS Menon, EN Bassey, LF Piper, CP Grey, AJ Morris
(2022)
Automated optimisation of solubility and conformational stability of antibodies and proteins
A Rosace, A Bennett, M Oeller, MM Mortensen, L Sakhnini, N Lorenzen, C Poulsen, P Sormanni
(2022)