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Currently displaying 561 - 580 of 30849 publications

PhaseXplorer Creates High-Dimensional Phase Diagrams with Closed-Loop Active Learning

SAH Jansen, LSA Dreyer, J van Basten, Y Yao, DE Otzen, TFA de Greef, TPJ Knowles, EW Meijer, NA Erkamp

ACS Nano

(2025)

38981

(doi: 10.1021/acsnano.5c07268)

Recent advances in the antimicrobial potential of boron cluster compounds.

WJ Price Cunliffe, PJ Rutledge, LM Rendina

RSC medicinal chemistry

(2025)

(doi: 10.1039/d5md00862j)

Deep learning assessment of nativeness and pairing likelihood for antibody and nanobody design with AbNatiV2

A Ramon, N Frassetto, H Zhao, X Xu, M Greenig, S Onuoha, P Sormanni

(2025)

(doi: 10.1101/2025.10.31.685806)

Graphene oxide-based and porous nanocarriers for drug delivery developed with computational and experimental approaches

ÖZ Güner-Yılmaz, B Kocaaga, A Yılmaz, M Balcik, O Kurkcuoglu, FA Sungur, R Yavuz, N Karatepe, M Tatlier, A Sirkecioglu, S Hooshmand, MA Miavaghi, MA Zabara, A Yürüm, MK Bayazıt, S Batirel, FS Güner

Surfaces and Interfaces

(2025)

107860

(doi: 10.1016/j.surfin.2025.107860)

An electrochemical sensor based on cuprite modified multiwall carbon nanotube paste electrode for the selective detection of iodide in aqueous medium

S Bibi, A Bibi, MI Zaman, A Niaz, A Abbas, MA Ismail, L Daohui, HE Osman

Diamond and Related Materials

(2025)

159

112723

(doi: 10.1016/j.diamond.2025.112723)

From Escher to Maxwell: quasipotentials and optimal control in nonequilibrium statistical physics

J Schüttler

(2025)

(doi: 10.17863/CAM.130209)

Visualising the Energy Landscape for a Molecular Dynamics Trajectory

V Neuman, P Wesołowski, K Bojarski, D Dewan, M Schäffler, P Smardz, D Wales

(2025)

(doi: 10.26434/chemrxiv-2025-6f4zq)

Neurodegeneration emerges at a cellular tipping point between aggregate accumulation and removal.

MW Cotton, S Venkatesan, JS Beckwith, D Böken, CK Xu, E Fertan, JC Breiter, LE Berkowicz, LS Salazar, A Von Schulze, EA Andrzejewska, EE Brock, HL Han, MM Schneider, DD Sahtoe, D Baker, JB Rowe, A Goriely, WA McEwan, TPJ Knowles, SF Lee, R Halfmann, D Klenerman, G Meisl

(2025)

(doi: 10.1101/2025.09.08.674880)

An Inverse Electron-Demand Diels-Alder Strategy for Mapping RNA Methylation

G Ivey

(2025)

(doi: 10.17863/CAM.132092)

Interpretable Toxicity Predictions and Exploring Chemical Space: Developing and Testing Cheminformatics and Explainable AI Tools

K Beckwith

(2025)

(doi: 10.17863/CAM.131913)

Shaping photon correlations for quantum imaging

P Cameron, B Courme, C Vernière, R Pandya, P Ornelas, IM Nape, A Forbes, D Faccio, H Defienne

Quantum Technologies for Defence and Security II

(2025)

(doi: 10.1117/12.3077126)

Vibrational energy landscapes and energy flow in GPCRs: comparison between class A and class B GPCRs using all atom and coarse-grained models.

H Poudel, PH Shaon, DJ Wales, DM Leitner

Physical chemistry chemical physics : PCCP

(2025)

22394

(doi: 10.1039/d5cp02918j)

Reply to: On anisotropy in cubic Cu<sub>2</sub>O photoelectrodes.

L Pan, L Dai, OJ Burton, L Chen, V Andrei, Y Zhang, D Ren, J Cheng, L Wu, K Frohna, A Abfalterer, TC-J Yang, W Niu, M Xia, S Hofmann, PJ Dyson, E Reisner, H Sirringhaus, J Luo, A Hagfeldt, M Grätzel, SD Stranks

Nature

(2025)

646

E26

(doi: 10.1038/s41586-025-09629-0)

Droplet-based microfluidics uncovers hidden kinetic pathways of protein condensates: divergent routes to amyloids and amorphous aggregates.

J Kawakami, T Ozawa, Y Maruyama, H Ishikawa, K Yamauchi, K Kobayashi, S Kajimoto, T Nakabayashi, S Tomita, T Agarwal, T Sneideris, K Nakajima, K Shiraki, H Taguchi, A Hibara, T Knowles, E Chatani, Y Mizuno, Y Ohhashi, M Fukuyama

(2025)

(doi: 10.26434/chemrxiv-2025-6xwcg-v2)

Kinetics of seeded protein aggregation: theory and application

AJ Dear, G Meisl, J Hu, TPJ Knowles, S Linse

(2025)

(doi: 10.48550/arxiv.2503.20941)

Determination of nucleotide-nucleotide and nucleotide-amino acid binding interactions from all-atom potential-of-mean-force calculations

A Feito, E Pedraza, E Cuesta, A Castro, I Sanchez-Burgos, A Rey, R Collepardo-Guevara, AR Tejedor, JR Espinosa

(2025)

(doi: 10.1101/2025.10.27.684844)