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Currently displaying 561 - 580 of 31086 publications

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)

(doi: 10.26434/chemrxiv-2025-fl9pf)

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

Nat Metab

(2025)

2531

(doi: 10.1038/s42255-025-01413-8)

Topological Ring Currents in Open-Shell Homologues of Clar's Goblet and Triangulene

TK Dickens, RB Mallion

Journal of Physical Chemistry A

(2025)

129

11725

(doi: 10.1021/acs.jpca.5c06508)

Data-rich high-throughput mapping of protein phase behaviour in condensate function and dysfunction

CM Fischer

(2025)

(doi: 10.17863/CAM.130505)

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)

2592547

(doi: 10.1080/23746149.2025.2592547)

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

eadv6588

(doi: 10.1126/science.adv6588)

Global properties of the energy landscape: a testing and training arena for machine learned potentials

V Cărare, FL Thiemann, JD Morrow, DJ Wales, EO Pyzer-Knapp, L Dicks

Npj Computational Materials

(2025)

(doi: 10.1038/s41524-025-01878-x)

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 (New York, N.Y.)

(2025)

390

1038

(doi: 10.1126/science.adv9797)

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)

700

(doi: 10.1111/all.70179)

Optical Ising spin-glass simulator with tunable short-range couplings

L Delloye, G Jacucci, R Pandya, D Pierangeli, C Conti, S Gigan

Physical Review A

(2025)

112

063510

(doi: 10.1103/mwx5-32rj)

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

Journal of Chemical Physics

(2025)

163

210402

(doi: 10.1063/5.0309018)

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)

(doi: 10.64898/2025.12.03.691924)