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Currently displaying 1321 - 1340 of 31149 publications

Defects induce phase transition from dynamic to static rippling in graphene.

FL Thiemann, C Scalliet, EA Müller, A Michaelides

Proceedings of the National Academy of Sciences

(2025)

122

e2416932122

(doi: 10.1073/pnas.2416932122)

Deletion of the moeA gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism

Á Escobar Doncel, C Patinios, A Campos, MB Walter Costa, MV Turkina, M Murace, RHJ Staals, S Vignolini, BE Dutilh, CJ Ingham

(2025)

(doi: 10.7554/elife.105029.1)

Efficient crystal structure prediction based on the symmetry principle.

Y Han, C Ding, J Wang, H Gao, J Shi, S Yu, Q Jia, S Pan, J Sun

Nature computational science

(2025)

255

(doi: 10.1038/s43588-025-00775-z)

Compositional control of ageing kinetics in TDP-43 condensates

NH Espejo, A Feito, I Sanchez-Burgos, A Garaizar, MM Conde, A Rey, A Castro, R Collepardo-Guevara, AR Tejedor, JR Espinosa

(2025)

(doi: 10.1101/2025.02.21.639421)

Ion-Exchange-Mediated Pre-Association Gates Interfacial PCET

NB Lewis, J Kelly, JG Gardner, NK Razdan, S Ardo, T Markland, Y Surendranath

(2025)

(doi: 10.26434/chemrxiv-2024-8vb2n-v3)

Surface Functionalisation and Characterisation of Cellulose Nanocrystals

B Teall

(2025)

(doi: 10.17863/CAM.121633)

Multisite Coordination Ligand Strategy for FAPbBr3 Nanocrystal Light-Emitting Diodes

D Lee, SM Lee, A-Y Lee, J Kim, J Lee, DH Kwon, J Han, YW Noh, WG Shin, SS Choi, BR Lee, S Lee, SK Kwak, MH Song

ACS Energy Letters

(2025)

1411

(doi: 10.1021/acsenergylett.5c00359)

Machine Learning a Phosphor's Excitation Band Position

N Lee, M Sójka, A La, S Sharma, S Kavanagh, D Ahn, DO Scanlon, J Brgoch

(2025)

(doi: 10.48550/arxiv.2502.18859)

Advancing nanobody discovery and engineering with sequence-based machine learning

A Ramon

(2025)

(doi: 10.17863/CAM.118948)

An accelerated molecular dynamics study for investigating protein pathways using the bond‐boost hyperdynamics method

SW Park, M-K Choi, BH Lee, S Seo, WK Kim, MK Kim

Protein Science

(2025)

e70073

(doi: 10.1002/pro.70073)

The 2-methylcitrate cycle and the glyoxylate shunt in Pseudomonas aeruginosa are linked through enzymatic redundancy.

AJ Wijaya, SK Dolan, M Kohlstedt, L Gläser, P Brear, S Geddis, C Wittmann, DR Spring, M Welch

The Journal of biological chemistry

(2025)

301

108355

(doi: 10.1016/j.jbc.2025.108355)

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)

Learning the Electrostatic Response of the Electron Density through a Symmetry-Adapted Vector Field Model.

M Rossi, K Rossi, AM Lewis, M Salanne, A Grisafi

The Journal of Physical Chemistry Letters

(2025)

2326

(doi: 10.1021/acs.jpclett.5c00165)

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

Journal of Chemical Theory and Computation

(2025)

2736

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

Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm

H Yin, Y Li, W Wang, J Lyu

(2025)

(doi: 10.26434/chemrxiv-2025-gxj4r)

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

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

(2025)

(doi: 10.1101/2025.02.21.639010)