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Currently displaying 561 - 580 of 30372 publications

CO ₂ hydration at the air–water interface: A surface-mediated “in-and-out” mechanism

SGH Brookes, V Kapil, A Michaelides, C Schran

Proceedings of the National Academy of Sciences

(2025)

122

e2502684122

(doi: 10.1073/pnas.2502684122)

Current practices in the study of biomolecular condensates: a community comment

S Alberti, P Arosio, RB Best, S Boeynaems, D Cai, R Collepardo-Guevara, GL Dignon, R Dimova, S Elbaum-Garfinkle, NL Fawzi, M Fuxreiter, AS Gladfelter, A Honigmann, A Jain, JA Joseph, TPJ Knowles, K Lasker, EA Lemke, K Lindorff-Larsen, R Lipowsky, J Mittal, S Mukhopadhyay, S Myong, RV Pappu, K Rippe, TA Shelkovnikova, AG Vecchiarelli, S Wegmann, H Zhang, M Zhang, C Zubieta, M Zweckstetter, D Dormann, T Mittag

Nature communications

(2025)

7730

(doi: 10.1038/s41467-025-62055-8)

Quantifying collective interactions in biomolecular phase separation

H Ausserwöger, E de Csilléry, D Qian, G Krainer, TJ Welsh, T Sneideris, TM Franzmann, S Qamar, NA Erkamp, J Nixon-Abell, M Kar, P St George-Hyslop, AA Hyman, S Alberti, RV Pappu, TPJ Knowles

Nature Communications

(2025)

7724

(doi: 10.1038/s41467-025-62437-y)

Interaction strength of carbon dioxide on graphene from periodic quantum diffusion Monte Carlo.

F Della Pia, G Kler-Young, A Zen, F Berger, D Alfè, A Michaelides

The Journal of Chemical Physics

(2025)

163

071101

(doi: 10.1063/5.0283254)

A Dynamic Silver(I) Nanocluster Holds Together a 3 x 3 Self-Assembled Grid

AW Heard, L Pesce, PT Gierth, S Adorinni, TK Ronson, B Rossi, JD Thoburn, T Deingruber, M Welch, DR Spring, S Marchesan, GM Pavan, JR Nitschke

Journal of the American Chemical Society

(2025)

147

30842

(doi: 10.1021/jacs.5c07271)

How reactive is water at the nanoscale and how to control it?

XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides

(2025)

(doi: 10.48550/arxiv.2508.13034)

Tunable surface potential nanomaterials for enhanced environmental nucleic acid extraction and surveillance.

J Lv, T Li, Y Liu, B Li, P Jia, C Ma, H Xiao, G Wang, L Cheng, J Yang, Z Xu, X Tan, Z Jin, J-X Li, R Li, S Sun, E Huang, P-L Shao, B Zhang

Water Research

(2025)

287

124428

(doi: 10.1016/j.watres.2025.124428)

Selective endo-Cyclic α-Functionalization of Saturated N-Alkyl Piperidines

RC Phillips, JCK Chu, AA Rafaniello, MJ Gaunt

J Org Chem

(2025)

12226

(doi: 10.1021/acs.joc.5c01742)

Towards Routine Condensed Phase Simulations with Delta-Learned Coupled Cluster Accuracy: Application to Liquid Water

N O'Neill, BX Shi, W Baldwin, WC Witt, G Csányi, JD Gale, A Michaelides, C Schran

(2025)

(doi: 10.48550/arxiv.2508.13391)

Structure-based Generation of a Secondary Nucleation Inhibitor in α-Synuclein Aggregation Using a Conditional Diffusion Model

H Zhang, RI Horne, ZF Brotzakis, C Harris, P Liò, M Vendruscolo

(2025)

(doi: 10.1101/2025.08.16.670694)

Photosystem II‐Carbon Nitride Photoanodes for Scalable Biophotoelectrochemistry

H Zhang, W Tian, J Lin, P Zhang, G Shao, SK Ravi, H Sun, E Cortés, V Andrei, S Wang

Adv Mater

(2025)

e08813

(doi: 10.1002/adma.202508813)

Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection.

G Markiewicz, X Qiu, G Avci, EH Wolpert, KE Jelfs, JKM Sanders, AR Stefankiewicz

J Am Chem Soc

(2025)

147

31270

(doi: 10.1021/jacs.5c10523)

Hybrid Stochastic Simulation for Accelerated Modeling of Free Radical and Degenerative Transfer Polymerization

H Yin, Y Li, J Lyu

Macromolecular Theory and Simulations

(2025)

e00062

(doi: 10.1002/mats.202500062)

Revealing and Mitigating Crossover-Driven Side Reactions in Ferrocyanide-Based Redox Flow Batteries

E Latchem, T Kress, MA de h-Óra, A Wang, Q Song, A Forse

ACS Electrochemistry

(2025)

2071

(doi: 10.1021/acselectrochem.5c00178)

Energy Landscapes of Model Knotted Polymers

T Hao, Y Ge, MA Miller, A L N Francesco, DJ Wales

Computational and Theoretical Chemistry

(2025)

8168

(doi: 10.1021/acs.jctc.5c01005)

Accelerating Biomolecular Modeling with AtomWorks and RF3.

N Corley, S Mathis, R Krishna, MS Bauer, TR Thompson, W Ahern, MW Kazman, RI Brent, K Didi, A Kubaney, L McHugh, A Nagle, A Favor, M Kshirsagar, P Sturmfels, Y Li, J Butcher, B Qiang, LL Schaaf, R Mitra, K Campbell, O Zhang, R Weissman, IR Humphreys, Q Cong, J Funk, S Sonthalia, P Liò, D Baker, F DiMaio

bioRxiv

(2025)

2025.08.14.670328

(doi: 10.1101/2025.08.14.670328)