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  • Currently displaying 301 - 320 of 30393 publications
Author(s)
Publication title
Journal Name
Publication year
Multi-head committees enable direct uncertainty prediction for atomistic foundation models
H Beck, P Simko, LL Schaaf, O Marsalek, C Schran
The Journal of Chemical Physics
(2025)
163
When Is Nanoconfined Water Different From Interfacial Water?
XR Advincula, C Schran, A Michaelides
(2025)
Commentary on 'Untargeted CUT&Tag reads are enriched at accessible chromatin and restrict identification of potential G4-forming sequences in G4-targeted CUT&Tag experiments'.
L Melidis, R de Cesaris Araujo Tavares, X He, S Dhir, D Tannahill, S Balasubramanian
Nucleic Acids Res
(2025)
53
EDAC-mediated O-acylisourea rearrangement for tertiary amine cationization of hyaluronic acid (HA) and its application as structural backbones in virus-inspired polyplexes.
Y Li, L Yao, J Liu, Y Situ, C Zhao, T Mao, X Wang, R Song, H Tai, Z He, J Lyu, W Wang
Bioactive materials
(2025)
58
Single-molecule imaging of small aggregates of IAPP in type 2 diabetes serum with rationally-designed antibody-like scaffolds
J Lin, YP Zhang, S Chia, D Klenerman, P Sormanni, M Vendruscolo
Chem Sci
(2025)
17
Compositional Control of Aging Kinetics in TDP-43 Condensates
NH Espejo, A Feito, I Sanchez-Burgos, A Garaizar, MM Conde, A Rey, E Pedraza, A Castro, R Collepardo-Guevara, AR Tejedor, JR Espinosa
PRX Life
(2025)
3
Inhibiting Disulfide Bonding in Truncated Tau297-391 Results in Enhanced Self-Assembly of Tau into Seed-Competent Assemblies.
SS Oakley, KE Marshall, G Meisl, A Copsey, MB Maina, R Milton, T Vorley, JMD Storey, CR Harrington, CM Wischik, W-F Xue, LC Serpell
ACS Chemical Neuroscience
(2025)
17
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.
D Kuryla, F Berger, G Csányi, A Michaelides
Journal of Chemical Physics
(2025)
163
Operando Microscopy of Photosynthetic Microbial Biohybrids using Fluorescent Chemical Probes
LA Milburn, EI Wroe, M Eyres, JM Lawrence, JZ Zhang
(2025)
An allantoin-inducible glyoxylate utilization pathway in <i>Pseudomonas aeruginosa</i>.
SL Parkhill, O Little, I Askenasy, E Labrini, M Wang, PD Brear, W Cai, T Deingruber, T Yang, DR Spring, M Welch
Microbiology (Reading)
(2025)
171
Identification of Blood Biomarkers for Bipolar Disorder using SERS and Explainable Machine Learning
JK Zaki, NS Potter, J Tomasik, JA McCune, S Bahn, OA Scherman
(2025)
A career with a natural interest in total synthesis.
SV Ley, S Greed
Nat Rev Chem
(2025)
10
Electrochemical CO2Capture by a Quinone-Based Covalent Organic Framework
MA Khan, Z Xu, M Muzammil, S Bird, M Munawar, F Salam, NA Hartley, J Taylor, K Amin, J Ling, HRNB Enninful, NZ Ali, K Hetze, S Cao, Y Lu, Z Wei, M Oschatz, PJ Milner, AC Forse
J Am Chem Soc
(2025)
147
Engineering granular hydrogels with droplet microfluidics
Y Ou
(2025)
Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene.
TK Dickens, RB Mallion
The Journal of Physical Chemistry A
(2025)
129
Comparison of protein-glycosaminoglycan interactions in ff14sb/GLYCAM06j and CHARMM36m force fields
K Bojarski, P Wesołowski, D Dewan, Ł Dziadek, V Neuman, B Brooks, J Czub, M Zacharias, A Sieradzan, D Wales
(2025)
Inhibition of IRAK4 by microbial trimethylamine blunts metabolic inflammation and ameliorates glycemic control.
J Chilloux, F Brial, A Everard, D Smyth, P Andrikopoulos, L Zhang, H Plovier, A Myridakis, L Hoyles, JM Moreno-Navarrete, JL Luque, V Casagrande, R Menghini, B Ahmetaj-Shala, C Blancher, L Martinez-Gili, S Gencer, JF Fearnside, RH Barton, AL Neves, AR Rothwell, C Gérard, S Calderari, MJ Williamson, JE Fuchs, L Govada, CL Boulangé, S Patel, J Scott, M Thursz, N Chayen, RC Glen, NJ Gooderham, JK Nicholson, M Federici, JM Fernández-Real, D Gauguier, PP Liu, PD Cani, M-E Dumas
Nature Metabolism
(2025)
7
Modeling biomolecular condensates across scales: Atomistic, coarse-grained, and data-driven approaches.
MJ Maristany, A Emelianova, PY Chew, A Aguirre, R Collepardo-Guevara, JA Joseph
Adv Phys X
(2025)
10
Monte Carlo methods, 70 years after "Equation of state calculations by fast computing machines" by Nicholas Metropolis, Arianna Rosenbluth, Marshall Rosenbluth, Augusta Teller, and Edward Teller (1953)
EJ Maginn, JI Siepmann, KA Fichthorn, D Frenkel, Y Okamoto, W Krauth, C Filippi
The Journal of Chemical Physics
(2025)
163
Exposures in indoor air affecting health
M Hartiala, V Elenius, AA Pesquera, S Androulakis, I Annesi-Maesano, A Badyda, S Brandsma, I Chatziprodromidou, G Gajski, J Garcia-Aymerich, C Giorio, T Hugg, JJK Jaakkola, S Koch, PEG Leonards, A Matrali, L Melymuk, N Mueller, A Muszyński, J Opbroek, I Paciência, SN Pandis, S Pozdniakova, AK Rantala, SR Sufuentes, L Schenk, E Sugeng, A Sunyer-Caldú, A Vantarakis, A Zherebker, E Alfaro-Moreno, PB Nizzetto, JF Dominguez, S Karatzas, F Mureddu, H Salonen, N Papadopoulos, T Jartti, IDEAL Consortium
Allergy European Journal of Allergy and Clinical Immunology
(2025)
81