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Currently displaying 181 - 200 of 29344 publications

Decoding Solubility Signatures from Amyloid Monomer Energy Landscapes.

P Adam Wesołowski, B Yang, AJ Davolio, EJ Woods, P Pracht, KK Bojarski, K Wierbiłowicz, MC Payne, DJ Wales

– J Chem Theory Comput

(2025)

21,

2736

(doi: 10.1021/acs.jctc.4c01623)

Spin coupling is all you need: Encoding strong electron correlation in molecules on quantum computers

D Marti-Dafcik, HGA Burton, DP Tew

– Physical Review Research

(2025)

013191

(doi: 10.1103/physrevresearch.7.013191)

A non-catalytic role for MLL2 in controlling chromatin organisation and mobility during the priming of pluripotent cells for differentiation

M Steindel, O Davis, K Neumann, L Pirvan, G Agsu, A Kranz, D Adhya, J Morf, S Yang, Z Zhang, J Fu, M Barile, A Wurmser, SE Strawbridge, I Mohorianu, P Madapura, B Huntly, B Göttgens, D Holcman, SA Samarajiwa, D Klenerman, K Anastassiadis, A Francis Stewart, S Basu

(2025)

(doi: 10.1101/2025.02.21.639010)

A Highly-Active Chemodynamic Agent Based on In Situ Generated Copper Complexes from Copper Hexacyanoferrate Nanoparticles.

J Bonet-Aleta, JL Hueso, A Valls-Chiva, I Ruiz-Aranda, B Manzanilla, JI Garcia-Peiro, S Aina, E Urriolabeitia, JV Alegre-Requena, J Santamaria

– Small (Weinheim an der Bergstrasse, Germany)

(2025)

21,

e2412355

(doi: 10.1002/smll.202412355)

Cold-induced nucleosome dynamics linked to silencing of ArabidopsisFLC

M Montez, D Zhu, J Huertas Martin, MJ Maristany, B Rutjens, M Nielsen, R Collepardo-Guevara, C Dean

(2025)

(doi: 10.1101/2025.02.17.638618)

Amphoteric chalcogen-bonding and halogen-bonding rotaxanes for anion or cation recognition

YC Tse, A Docker, I Marques, V Félix, PD Beer

– Nature Chemistry

(2025)

17,

373

(doi: 10.1038/s41557-025-01742-x)

Poly(ADP-ribose) binding sites on collagen I fibrils for nucleating intrafibrillar bone mineral

M Duer, M Zecca, H Greer, K Muller

– Proc Natl Acad Sci U S A

(2025)

122,

e2414849122

(doi: 10.1073/pnas.2414849122)

The INGENIOUS project: towards understanding air pollution in homes.

N Carslaw, J Aghaji, SH Budisulistiorini, DC Carslaw, L Chatzidiakou, RW Cheung, TJ Dillon, P Edwards, D Genes, C Giorio, JF Hamilton, E Ikeda, RL Jones, J Lee, AC Lewis, A Kumar, R McEachan, G McFiggans, T Murrels, N Pleace, A Ruangkanit, Y Shao, SP O'Meara, DR Shaw, M Shaw, D Waiblinger, T Warburton, S West, C Wood, T Yang

– Environmental Science: Processes & Impacts

(2025)

27,

355

(doi: 10.1039/d4em00634h)

Nature of the Oxygen-Loss-Induced Rocksalt Layer and Its Impact on Capacity Fade in Ni-Rich Layered Oxide Cathodes

NA Shah, GJ Páez Fajardo, H Banerjee, GC Pandey, AS Menon, M Ans, V Majherova, G Bree, S Bolloju, DC Grinter, P Ferrer, PK Thakur, TL Lee, MJ Loveridge, AJ Morris, CP Grey, LFJ Piper

– ACS Energy Letters

(2025)

10,

1313

(doi: 10.1021/acsenergylett.5c00324)

Energy Landscapes for the Unitary Coupled Cluster Ansatz.

C Boy, M-A Filip, DJ Wales

– Journal of Chemical Theory and Computation

(2025)

21,

1739

(doi: 10.1021/acs.jctc.4c01667)

AlphaFold prediction of structural ensembles of disordered proteins

ZF Brotzakis, S Zhang, MH Murtada, M Vendruscolo

– Nature Communications

(2025)

16,

1632

(doi: 10.1038/s41467-025-56572-9)

Receptor clustering tunes and sharpens the selectivity of multivalent binding

Z Xie, S Angioletti-Uberti, J Dobnikar, D Frenkel, T Curk

– Proc Natl Acad Sci U S A

(2025)

122,

e2417159122

(doi: 10.1073/pnas.2417159122)

Design of Protein Sequences with Precisely Tuned Kinetic Properties

ZF Brotzakis, M Vendruscolo, G Skretas

(2025)

(doi: 10.1101/2025.02.13.638027)

Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.

JA Newman, AE Gavard, N Imprachim, H Aitkenhead, HE Sheppard, R Te Poele, PA Clarke, MA Hossain, L Temme, HJ Oh, CI Wells, ZW Davis-Gilbert, P Workman, O Gileadi, DH Drewry

– Nat Commun

(2025)

16,

1596

(doi: 10.1038/s41467-025-56213-1)

Hepatoprotective Activity of Nature-Derived Polyphenols Studied by Mass Spectrometry Based Multi-OMICS Approach.

AG Brzhozovskiy, SD Semenov, AY Zherebker, AE Bugrova, MN Yurova, YV Zhernov, OA Kovaleva, AL Semenov, DP Abroskin, SS Kruglov, EI Fedoros, AS Kononikhin, EN Nikolaev

– International Journal of Molecular Sciences

(2025)

26,

1604

(doi: 10.3390/ijms26041604)

First-Principles Simulation of Anharmonic and Anisotropic Vibrations of Glycinate on Copper

AD Ievins, M Sacchi, SJ Jenkins

– ACS Omega

(2025)

10,

7422

(doi: 10.1021/acsomega.5c00210)

Transcorrelated methods applied to second row elements

M-A Filip, P López Ríos, JP Haupt, EMC Christlmaier, D Kats, A Alavi

– J Chem Phys

(2025)

162,

064110

(doi: 10.1063/5.0246422)

Direct air capture of CO<sub>2</sub> for solar fuel production in flow.

S Kar, D Kim, A Bin Mohamad Annuar, BB Sarma, M Stanton, E Lam, S Bhattacharjee, S Karak, HF Greer, E Reisner

– Nature Energy

(2025)

10,

448

(doi: 10.1038/s41560-025-01714-y)

Recombinase-Controlled Multiphase Condensates Accelerate Nucleic Acid Amplification and CRISPR-Based Diagnostics

A Homchan, M Patchsung, P Chantanakool, T Wongsatit, W Onchan, D Muengsaen, T Thaweeskulchai, M Tandean, T Sakpetch, S Suraritdechachai, K Aphicho, C Panchai, S Taiwan, N Horthongkham, T Sudyoadsuk, A Reinhardt, C Uttamapinant

– Journal of the American Chemical Society

(2025)

147,

10088

(doi: 10.1021/jacs.4c11893)