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Currently displaying 301 - 320 of 30372 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)

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)

2592547

(doi: 10.1080/23746149.2025.2592547)

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)

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)

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)

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)

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

210402

(doi: 10.1063/5.0309018)

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

Chemical Science

(2025)

2722

(doi: 10.1039/d5sc06664f)

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)

9152

(doi: 10.1039/d5sm00801h)

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)