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Currently displaying 441 - 460 of 29372 publications

Stabilisation of Bromenium Ions in Macrocyclic Halogen Bond Complexes

A Docker, H Kuhn, PD Beer

– Angewandte Chemie

(2024)

137,

e202417427

(doi: 10.1002/ange.202417427)

Stabilisation of Bromenium Ions in Macrocyclic Halogen Bond Complexes.

A Docker, H Kuhn, PD Beer

– Angewandte Chemie International Edition

(2024)

64,

e202417427

(doi: 10.1002/anie.202417427)

The energy landscape of Aβ 42 : a funnel to disorder for the monomer becomes a folding funnel for self-assembly

M Schäffler, DJ Wales, B Strodel

– Chemical communications (Cambridge, England)

(2024)

60,

13574

(doi: 10.1039/d4cc02856b)

Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions

P Pracht

(2024)

(doi: 10.26434/chemrxiv-2024-qmcz4)

Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS

J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda

– Angew Chem Int Ed Engl

(2024)

64,

e202408704

(doi: 10.1002/anie.202408704)

Distributed direct air capture of carbon dioxide by synergistic water harvesting

Y Wang, L Qu, H Ding, P Webley, GK Li

– Nature Communications

(2024)

15,

9745

(doi: 10.1038/s41467-024-53961-4)

ASC specks as a single-molecule fluid biomarker of inflammation in neurodegenerative diseases

D Klenerman

– Nature Communications

(2024)

15,

9690

(doi: 10.1038/s41467-024-53547-0)

AlphaFold-Metainference: Prediction of Structural Ensembles of Disordered Proteins

F Brotzakis, S Zhang, MH Murtada, M Vendruscolo

(2024)

(doi: 10.1101/2024.11.09.622758)

Inside Back Cover: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. Int. Ed. 1/2025)

J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda

– Angewandte Chemie International Edition

(2024)

64,

(doi: 10.1002/anie.202420435)

Innenrücktitelbild: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. 1/2025)

J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda

– Angewandte Chemie

(2024)

137,

(doi: 10.1002/ange.202420435)

Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances

ND Pasquale, J Algaba, PMD Hijes, I Sanchez-Burgos, AR Tejedor, SR Yeandel, FJ Blas, RL Davidchack, JR Espinosa, CL Freeman, JH Harding, BB Laird, E Sanz, C Vega, L Rovigatti

(2024)

(link to publication)

Global kinetic model of lipid-inducedα-synuclein aggregation and its inhibition by small molecules

A Stevenson, R Staats, A Dear, D Voderholzer, G Meisl, R Guido, C Galvagnion, A Buell, TPJ Knowles, M Vendruscolo, TCT Michaels

(2024)

(doi: 10.1101/2024.11.07.622437)

HOMs and SOA formation from the oxidation of α- and β-phellandrenes by NO3 radicals

S Harb, M Cirtog, S Alage, C Cantrell, M Cazaunau, V Michoud, E Pangui, A Bergé, C Giorio, F Battaglia, B Picquet-Varrault

(2024)

(doi: 10.5194/egusphere-2024-3419)

Decreasing the uncertainty in the comparison of molecular fingerprints of organic aerosols with H/D exchange mass spectrometry

A Zherebker, O Babcock, DL Pereira, S D'Aronco, D Filippi, L Soldà, V Michoud, A Gratien, M Cirtog, C Cantrell, P Formenti, C Giorio

– Environmental Science and Technology

(2024)

58,

20468

(doi: 10.1021/acs.est.4c06749)

Learning the rules of peptide self-assembly through data mining with large language models

Z Yang, SK Yorke, TPJ Knowles, MJ Buehler

(2024)

(doi: 10.48550/arxiv.2411.05421)

Tiled unitary product states for strongly correlated Hamiltonians.

HGA Burton

– Faraday Discussions

(2024)

254,

157

(doi: 10.1039/d4fd00064a)

Single-molecule characterisation of soluble beta-amyloid aggregate binding by Aducanumab, Lecanemab, Gantenerumab, and Donanemab

D Klenerman, E Fertan, J Lam, G Albertini, M Dewilde, Y Wu, O Akingbade, D Böken, E English, B De Strooper

(2024)

(doi: 10.21203/rs.3.rs-5290983/v1)

Stochastic and low-scaling techniques: general discussion.

A Alavi, M Allen, K Atalar, TC Berkelbach, GH Booth, HGA Burton, GK-L Chan, L Craciunescu, D Danilov, W Dobrautz, FA Evangelista, M-A Filip, E Giner, G Greene-Diniz, A Grüneis, Y Guo, G Harsha, B Ibrahim, V Kapil, D Kats, PJ Knowles, M-B Lepetit, K Liao, G Li Manni, P-F Loos, E Magnusson, A Marie, C Mejuto-Zaera, F Neese, A Nejad, VA Neufeld, K Pernal, F Plasser, AW Prentice, V Ravindran, U Rehman, M Reiher, C Schilling, G Scuseria, J Shee, BX Shi, K Szenes, DP Tew, AJW Thom, Z Wang, D Zgid, A Zhu, MA Zwijnenburg

– Faraday discussions

(2024)

254,

451

(doi: 10.1039/d4fd90042a)