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  • Currently displaying 1061 - 1080 of 31859 publications
Author(s)
Publication title
Journal Name
Publication year
Spatial transmission of the Alzheimer’s amyloid beta peptide by secondary oligomers
T Knowles, Q Peter, C Taylor, U Lapinska, J Wei, T Michaels, P Arosio, S Linse
(2025)
The CP2K Program Package Made Simple
M Iannuzzi, J Wilhelm, F Stein, A Bussy, H Elgabarty, D Golze, A Hehn, M Graml, S Marek, BS Gökmen, C Schran, H Forbert, RZ Khaliullin, A Kozhevnikov, M Taillefumier, R Meli, V Rybkin, M Brehm, R Schade, O Schütt, JV Pototschnig, H Mirhosseini, A Knüpfer, D Marx, M Krack, J Hutter, TD Kühne
(2025)
DHPSFU: a Fiji plugin for fast and accurate double helix-PSF 3D single-molecule localisation microscopy.
Z Zhang, A Ochirova, S Liu, AD Herbert, Y Wu, W Boucher, SF Lee, ED Laue, D Klenerman, A Ponjavic
Sci Rep
(2025)
15
An unnatural base pair for the detection of epigenetic cytosine modifications in DNA
D Schmidl, SM Becker, JM Edgerton, S Balasubramanian
Nature chemistry
(2025)
17
Model Agnostic Conditioning of Boltzmann Generators for Peptide Cyclization
B du Pont, A Abrudan, R Scrutton, V Radenkovic, H Zhao, T Knowles
(2025)
On the electronic path integral normal modes of the Meyer-Miller-Stock-Thoss representation of nonadiabatic dynamics
LE Cook, TJH Hele
(2025)
CO 2 hydration at the air–water interface: A surface-mediated “in-and-out” mechanism
SGH Brookes, V Kapil, A Michaelides, C Schran
Proceedings of the National Academy of Sciences
(2025)
122
Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo.
F Della Pia, G Kler-Young, A Zen, F Berger, D Alfè, A Michaelides
The Journal of Chemical Physics
(2025)
163
Quantifying collective interactions in biomolecular phase separation
H Ausserwöger, E de Csilléry, D Qian, G Krainer, TJ Welsh, T Sneideris, TM Franzmann, S Qamar, NA Erkamp, J Nixon-Abell, M Kar, P St George-Hyslop, AA Hyman, S Alberti, RV Pappu, TPJ Knowles
Nature communications
(2025)
16
Current practices in the study of biomolecular condensates: a community comment
S Alberti, P Arosio, RB Best, S Boeynaems, D Cai, R Collepardo-Guevara, GL Dignon, R Dimova, S Elbaum-Garfinkle, NL Fawzi, M Fuxreiter, AS Gladfelter, A Honigmann, A Jain, JA Joseph, TPJ Knowles, K Lasker, EA Lemke, K Lindorff-Larsen, R Lipowsky, J Mittal, S Mukhopadhyay, S Myong, RV Pappu, K Rippe, TA Shelkovnikova, AG Vecchiarelli, S Wegmann, H Zhang, M Zhang, C Zubieta, M Zweckstetter, D Dormann, T Mittag
Nature Communications
(2025)
16
aims-PAX: Parallel Active eXploration for the automated construction of Machine Learning Force Fields
T Henkes, S Sharma, A Tkatchenko, M Rossi, I Poltavskyi
(2025)
Selective endo-Cyclic α-Functionalization of Saturated N-Alkyl Piperidines.
RC Phillips, JCK Chu, AA Rafaniello, MJ Gaunt
The Journal of organic chemistry
(2025)
90
How reactive is water at the nanoscale and how to control it?
XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides
(2025)
Tunable surface potential nanomaterials for enhanced environmental nucleic acid extraction and surveillance
J Lv, T Li, Y Liu, B Li, P Jia, C Ma, H Xiao, G Wang, L Cheng, J Yang, Z Xu, X Tan, Z Jin, J-X Li, R Li, S Sun, E Huang, P-L Shao, B Zhang
Water research
(2025)
287
Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water
N O'Neill, BX Shi, W Baldwin, WC Witt, G Csányi, JD Gale, A Michaelides, C Schran
(2025)
A Dynamic Silver(I) Nanocluster Holds Together a 3 x 3 Self-Assembled Grid
AW Heard, L Pesce, PT Gierth, S Adorinni, TK Ronson, B Rossi, JD Thoburn, T Deingruber, M Welch, DR Spring, S Marchesan, GM Pavan, JR Nitschke
J Am Chem Soc
(2025)
147
Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model
H Zhang, RI Horne, ZF Brotzakis, C Harris, P Liò, M Vendruscolo
(2025)
Photosystem II-Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry
H Zhang, W Tian, J Lin, P Zhang, G Shao, SK Ravi, H Sun, E Cortés, V Andrei, S Wang
Advanced materials (Deerfield Beach, Fla.)
(2025)
38
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection
G Markiewicz, X Qiu, G Avci, EH Wolpert, KE Jelfs, JKM Sanders, AR Stefankiewicz
Journal of the American Chemical Society
(2025)
147
Developing Joule-heating regeneration of carbon-based adsorbents for Direct Air Capture
K Petzall, BJ Rhodes, Y Wang, T Trisukhon, H Kukreja, SA Lim, PJ Milner, AC Forse
(2025)