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  • Currently displaying 41 - 60 of 29307 publications
Author(s)
Publication title
Journal Name
Publication year
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets.
D Kuryla, F Berger, G Csányi, A Michaelides
The Journal of Chemical Physics
(2025)
163
A career with a natural interest in total synthesis
SV Ley, S Greed
Nat Rev Chem
(2025)
10
Electrochemical CO2 Capture 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
Journal of the American Chemical Society
(2025)
147
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
Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene.
TK Dickens, RB Mallion
J Phys Chem A
(2025)
129
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
Advances in Physics: X
(2025)
10
High-fidelity human chromosome transfer and elimination
G Petris, S Grazioli, L van Bijsterveldt, P Murat, KC Liu, J Birnbaum, JE Sale, JW Chin
Science
(2025)
390
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
Multiscale structure of chromatin condensates explains phase separation and material properties.
H Zhou, J Huertas, MJ Maristany, K Russell, JH Hwang, R-W Yao, N Samanta, J Hutchings, R Billur, M Shiozaki, X Zhao, LK Doolittle, BA Gibson, A Soranno, M Riggi, JR Espinosa, Z Yu, E Villa, R Collepardo-Guevara, MK Rosen
Science (New York, N.Y.)
(2025)
390
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
(2025)
Protein-protein interactions drive differences in the spatiotemporal dynamics of transcription factors NANOG and SOX2 in naïve pluripotent cells
GG Agsu, Y Cao, D Jain, SE Strawbridge, S Daly, Z Zhang, A Wurmser, K Bowers, IO De Almeida, G Nikolenyi, S Berger, M Jonaitis, K Guma’a, T Pauzaite, S Maretvadakethope, L Bates, JA Nathan, BD Hendrich, R Perez-Carrasco, KJ Chalut, D Klenerman, TE Boroviak, SF Lee, D Holcman, S Basu
(2025)
Observation of unique stable nano-assemblies of a lipidated glucagon-like peptide 1 analogue.
E Prada Brichtova, AL Gomes Dos Santos, SE Jackson
Soft Matter
(2025)
21
MMP-cleavable linker platform for tumour-responsive homo- and heterobivalent antibody–drug conjugates
AJ Counsell, SJ Walsh, N Ashman, M Park, FM Dannheim, TA King, T Wharton, JS Carroll, DR Spring
Chem Sci
(2025)
Author Correction: The first-principles phase diagram of monolayer nanoconfined water
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
Nature
(2025)
648
Heavy mice and lighter things: how solid-state NMR spectroscopy gives a new view of the extracellular matrix
T Kress, MJ Duer
Actualité Chimique
(2025)
508-509
Correction to: Neglecting future sporadic volcanic eruptions underestimates climate uncertainty (Communications Earth & Environment, (2025), 6, 1, (236), 10.1038/s43247-025-02208-1)
MM Chim, TJ Aubry, C Smith, A Schmidt
Communications Earth & Environment
(2025)
6
Functional Group Distribution Shapes Chemical Properties of Degraded Terrestrial and Marine Dissolved Organic Matter.
RR Matos, A Craig, BP Koch, J Hawkes, LWK Moodie, A Ivanova, G Gleixner, P Guth, K-H Knorr, J Tebben, T Reemtsma, A Zherebker, OJ Lechtenfeld
Environ Sci Technol
(2025)
59
Precise synthesis of spherical aluminium oxo clusters for accurate surface guest recognition
S-H Shen, J Hao, M Zhang, Y-H Yu, J-B Chen, D Wright, C Li, W-H Fang, J Zhang
Nature Synthesis
(2025)
Inorganic pyrophosphate disrupts amorphous hydrated bone mineral interfaces in hypophosphatasia
S Dillon, A Armiger, A Murgoci, L Skingle, FGA Tabegna, S McDonald, S Mumm, MP Whyte, M Garton, KES Poole, MJ Duer
(2025)