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Currently displaying 841 - 860 of 29453 publications

Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies

H Kaur, FD Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil

(2024)

(doi: 10.48550/arxiv.2405.20217)

Manganese(ii) promotes prebiotically plausible non-enzymatic RNA ligation reactions

Z Liu, CZ Jiang, AD Bond, NJ Tosca, JD Sutherland

– Chemical Communications

(2024)

60,

6528

(doi: 10.1039/d4cc01086h)

Light management by algal aggregates in living photosynthetic hydrogels

A Greenan-Smith, ST Chua, S Vignolini

– Proc Natl Acad Sci U S A

(2024)

121,

e2316206121

(doi: 10.1073/pnas.2316206121)

Learning Electronic Polarizations in Aqueous Systems

A Jana, S Shepherd, Y Litman, DM Wilkins

– J Chem Inf Model

(2024)

64,

4426

(doi: 10.1021/acs.jcim.4c00421)

i-PI 3.0: a flexible and efficient framework for advanced atomistic simulations

Y Litman, V Kapil, YMY Feldman, D Tisi, T Begušić, K Fidanyan, G Fraux, J Higer, M Kellner, TE Li, ES Pós, E Stocco, G Trenins, B Hirshberg, M Rossi, M Ceriotti

(2024)

(link to publication)

Aβ Oligomer Dissociation Is Catalyzed by Fibril Surfaces

A Dear, D Thacker, S Wennmalm, L Ortigosa-Pascual, EA Andrzejewska, G Meisl, S Linse, T Knowles

– ACS Chemical Neuroscience

(2024)

15,

2296

(doi: 10.1021/acschemneuro.4c00127)

An evolutionarily conserved mechanism controls reversible amyloids of pyruvate kinase via pH-sensing regions

G Cereghetti, VM Kissling, LM Koch, A Arm, CC Schmidt, Y Thüringer, N Zamboni, P Afanasyev, M Linsenmeier, C Eichmann, S Kroschwald, J Zhou, Y Cao, DM Pfizenmaier, T Wiegand, R Cadalbert, G Gupta, D Boehringer, TPJ Knowles, R Mezzenga, P Arosio, R Riek, M Peter

– Dev Cell

(2024)

59,

1876

(doi: 10.1016/j.devcel.2024.04.018)

Solutes unmask differences in clustering versus phase separation of FET proteins

M Kar, LT Vogel, G Chauhan, S Felekyan, H Ausserwöger, TJ Welsh, F Dar, AR Kamath, TPJ Knowles, AA Hyman, CAM Seidel, RV Pappu

– Nature Communications

(2024)

15,

4408

(doi: 10.1038/s41467-024-48775-3)

Biomolecular condensates sustain pH gradients at equilibrium through charge neutralisation

H Ausserwöger, R Scrutton, C Fischer, T Sneideris, D Qian, E de Csilléry, I Baronaite, K Saar, A Białek, M Oeller, G Krainer, T Franzmann, S Wittmann, J Iglesias-Artola, G Invernizzi, A Hyman, S Alberti, N Lorenzen, T Knowles

(2024)

(doi: 10.1101/2024.05.23.595321)

Palladium catalysts supported on biodegradable urea-based polymers in synthesis with CO - Part B

M Markovič, P Lopatka, P Koóš, T Soták, A Ház, T Gracza, SV Ley, M Králik

– Catalysis Today

(2024)

440,

114831

(doi: 10.1016/j.cattod.2024.114831)

Emerging Mesoscale Flows and Chaotic Advection in Dense Active Matter.

Y-E Keta, JU Klamser, RL Jack, L Berthier

– Phys Rev Lett

(2024)

132,

218301

(doi: 10.1103/physrevlett.132.218301)

Spatially tuneable multi-omics sequencing using light-driven combinatorial barcoding of molecules in tissues

G Battistoni, S Torres-Garcia, CY Sia, S Corriero, C Boquetale, E Williams, M Alini, N Hemmer, IMAXT consortium, S Balasubramanian, BC Nicholson, G Hannon, D Bressan

(2024)

(doi: 10.1101/2024.05.20.595040)

Inhibition of enzymes from the non-mevalonate pathway using fragment-based approaches

M Masha

(2024)

(doi: 10.17863/CAM.112387)

Single molecule characterisation of salivary protein aggregates from Parkinson's disease patients – a pilot study

M Furlepa, YP Zhang, E Lobanova, L Kahanawita, G Vivacqua, CH Williams-Gray, D Klenerman

– Brain Communications

(2024)

fcae178

(doi: 10.1093/braincomms/fcae178)