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  • Currently displaying 1881 - 1900 of 31514 publications
Author(s)
Publication title
Journal Name
Publication year
Protein language models are performant in structure-free virtual screening
HYI Lam, JS Guan, XE Ong, R Pincket, Y Mu
Briefings in bioinformatics
(2024)
25
Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023
I Poltavsky, A Charkin-Gorbulin, M Puleva, G Cordeiro Fonseca, I Batatia, NJ Browning, S Chmiela, M Cui, JT Frank, S Heinen, B Huang, S Käser, A Kabylda, D Khan, C Müller, AJA Price, K Riedmiller, K Töpfer, T Wai Ko, M Meuwly, M Rupp, G Csanyi, OA von Lilienfeld, JT Margraf, K-R Müller, A Tkatchenko
(2024)
A rapid in vivo pipeline to identify small molecule inhibitors of amyloid aggregation.
M Kamal, J Knox, RI Horne, OS Tiwari, AR Burns, D Han, D Levy, D Laor Bar-Yosef, E Gazit, M Vendruscolo, PJ Roy
Nat Commun
(2024)
15
Concurrent oxygen evolution reaction pathways revealed by high-speed compressive Raman imaging.
R Pandya, F Dorchies, D Romanin, J-F Lemineur, F Kanoufi, S Gigan, AW Chin, HB de Aguiar, A Grimaud
Nature communications
(2024)
15
Synthesis of the Phormidolide A Macrocycle Supports the Proposed Configurational Reassignment.
G Muir, I Paterson, NYS Lam, R Britton
Org Lett
(2024)
26
Tensor Train Optimization for Conformational Sampling of Organic Molecules
C Zurek, RA Mallaev, A Paul, N van Staalduinen, P Pracht, R Ellerbrock, C Bannwarth
(2024)
Nuclear Wavefunctions of Dispersion Bound Systems: Endohedral Eigenstates of Endofullerenes
K Panchagnula
(2024)
Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023
I Poltavsky, M Puleva, A Charkin-Gorbulin, G Cordeiro Fonseca, I Batatia, NJ Browning, S Chmiela, M Cui, JT Frank, S Heinen, B Huang, S Käser, A Kabylda, D Khan, C Müller, AJA Price, K Riedmiller, K Töpfer, T Wai Ko, M Meuwly, M Rupp, G Csanyi, OA von Lilienfeld, JT Margraf, K-R Müller, A Tkatchenko
(2024)
Structural Origins and Functions of Colour Diversity in Sea Slugs: Novel Photonic Architectures, Biological Roles, and Biomimetic Applications
S Humphrey
(2024)
Collective dynamics in lattice models far from equilibrium
L Yao
(2024)
Conductive and Stimuli-Responsive Supramolecular Polymer Networks for Biomedical Applications
S O'Neill
(2024)
Uncovering the Potential of Utilising Terrestrial Biogenic Markers in Ice Cores as Proxies to Past Environmental Conditions
E Bushrod
(2024)
Score-Based Generative Models for Designing Binding Peptide Backbones
JD Boom, M Greenig, P Sormanni, P Liò
(2024)
Conductive and Stimuli-Responsive Supramolecular Polymer Networks for Biomedical Applications
S O'Neill
(2024)
Displacive Jahn--Teller transition in NaNiO$_2$
LAV Nagle-Cocco, AR Genreith-Schriever, JMA Steele, C Tacconis, JD Bocarsly, O Mathon, JC Neuefeind, J Liu, CA O'Keefe, AL Goodwin, CP Grey, JSO Evans, SE Dutton
(2024)
Conductive and Stimuli-Responsive Supramolecular Polymer Networks for Biomedical Applications
S O'Neill
(2024)
Fiber lithium-ion battery from a view of application.
X Cheng, C Lu, J Li, C Li, H Jiang, Y Zhang, T Song, J Wang, X Gong, B Wang, H Peng
Science bulletin
(2024)
69
Extracellular phase separation mediates storage and release of thyroglobulin in the thyroid follicular lumen
Y Yao, N Erkamp, T Sneideris, X Yang, R Scrutton, MM Schneider, CM Fischer, E Schoenmakers, N Schoenmakers, TPJ Knowles
(2024)
Polarisation effects on the H-bond acceptor properties of sulfonamides †
FE Hanna, CA Hunter
Chemical Communications
(2024)
60
Correction: The Lennard-Jones potential: when (not) to use it
X Wang, S Ramírez-Hinestrosa, J Dobnikar, D Frenkel
Physical Chemistry Chemical Physics
(2024)
26