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Currently displaying 721 - 740 of 29233 publications

Estimation of Ligand Binding Free Energy Using Multi-eGO

B Stegani, E Scalone, FB Toplek, T Löhr, S Gianni, M Vendruscolo, R Capelli, C Camilloni

Journal of Chemical Information and Modeling

(2024)

351

(doi: 10.1021/acs.jcim.4c01545)

Accurate Estimation of Diffusion Coefficients and their Uncertainties from Computer Simulation.

AR McCluskey, SW Coles, BJ Morgan

Journal of chemical theory and computation

(2024)

(doi: 10.1021/acs.jctc.4c01249)

CrossMat: Integrating Material Databases for Multi-Domain Cross-Application

D Zhang, X Jia, HB Tran, F Yang, Q Wang, H Liu, Y Qi, EJ Cheng, H Li

(2024)

(doi: 10.26434/chemrxiv-2024-p9fvc)

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

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

(2024)

(doi: 10.26434/chemrxiv-2024-w770q)

Novel Catholyte and Electrolyte Optimisation for Aqueous Organic Redox Flow Batteries

N Farag

(2024)

(doi: 10.17863/CAM.117817)

Fragment Screening Reveals Novel Scaffolds against Sirtuin-2-Related Protein 1 from Trypanosoma brucei.

RA Gomes, M D Polêto, H Verli, VM Almeida, SR Marana, A Bender, BF Godoi, VTL Rodrigues, F da S Emery, GHG Trossini

ACS Omega

(2024)

3808

(doi: 10.1021/acsomega.4c09231)

Pro-inflammatory S100A8 Protein Exhibits a Detergent-like Effect on Anionic Lipid Bilayers, as Imaged by High-Speed AFM.

R Tamulytė, I Baronaitė, D Šulskis, V Smirnovas, M Jankunec

ACS Applied Materials and Interfaces

(2024)

2635

(doi: 10.1021/acsami.4c18749)

G3BP-driven RNP granules promote inhibitory RNA-RNA interactions resolved by DDX3X to regulate mRNA translatability

IREA Trussina, A Hartmann, C Desroches Altamirano, J Natarajan, CM Fischer, M Aleksejczuk, H Ausserwöger, TPJ Knowles, M Schlierf, TM Franzmann, S Alberti

Molecular Cell

(2024)

585

(doi: 10.1016/j.molcel.2024.11.039)

Ultrasensitive Protein Aggregate Quantification Assays for Neurodegenerative Diseases on the Simoa Platform.

D Böken, Z Xia, JYL Lam, E Fertan, Y Wu, EA English, J Konc, F Layburn, GJL Bernardes, H Zetterberg, MR Cheetham, D Klenerman

Analytical chemistry

(2024)

290

(doi: 10.1021/acs.analchem.4c04188)

Liquid-liquid phase separation in hepatocellular carcinoma.

J Xu, W Liu, Y Yao, TPJ Knowles, Z-G Zhang, Y-L Zhang

Frontiers in cell and developmental biology

(2024)

1454587

(doi: 10.3389/fcell.2024.1454587)

In vivo hyperphosphorylation of tau is associated with synaptic loss and behavioral abnormalities in the absence of tau seeds.

N Watamura, MS Foiani, S Bez, M Bourdenx, A Santambrogio, C Frodsham, E Camporesi, G Brinkmalm, H Zetterberg, S Patel, N Kamano, M Takahashi, J Rueda-Carrasco, L Katsouri, S Fowler, E Turkes, S Hashimoto, H Sasaguri, T Saito, AS Islam, S Benner, T Endo, K Kobayashi, C Ishida, M Vendruscolo, M Yamada, KE Duff, TC Saido

Nat Neurosci

(2024)

293

(doi: 10.1038/s41593-024-01829-7)

An accurate and efficient framework for modelling the surface chemistry of ionic materials

BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides

(2024)

Proteostasis Signatures in Human Diseases

CM Lim, M Vendruscolo

(2024)

(doi: 10.1101/2024.12.23.630032)

A Redox-Enzyme Integrated Microbial Fuel Cell Design Using the Surface Display System in Shewanella oneidensis MR-1.

S Baek, H Lee, YS Lee, IS Chang, I-G Choi

ACS Applied Materials & Interfaces

(2024)

1167

(doi: 10.1021/acsami.4c16868)

Nucleosome Spacing Can Fine-Tune Higher Order Chromatin Assembly.

L Chen, MJ Maristany, SE Farr, J Luo, BA Gibson, LK Doolittle, JR Espinosa, J Huertas, S Redding, R Collepardo-Guevara, MK Rosen

(2024)

(doi: 10.1101/2024.12.23.627571)

Catalytic one-carbon homologation of alkenes

M Grocott

(2024)

(doi: 10.17863/CAM.119162)

Parp7 generates an ADP-ribosyl degron that controls negative feedback of androgen signaling

K Wierbiłowicz, C-S Yang, A Almaghasilah, PA Wesołowski, P Pracht, NM Dworak, J Masur, S Wijngaarden, DV Filippov, DJ Wales, JB Kelley, A Ratan, BM Paschal

(2024)

(doi: 10.1101/2024.12.21.629908)

BoostMD: Accelerating molecular sampling by leveraging ML force field features from previous time-steps

LL Schaaf, I Batatia, C Brunken, TD Barrett, J Tilly

(2024)

3D Super-Resolution Imaging of PSD95 Reveals an Abundance of Diffuse Protein Supercomplexes in the Mouse Brain.

S Daly, E Bulovaite, A Handa, K Morris, L Muresan, C Adams, T Kaizuka, A Kitching, A Spark, G Chant, K O Holleran, SGN Grant, MH Horrocks, SF Lee

ACS Chem Neurosci

(2024)

(doi: 10.1021/acschemneuro.4c00684)

Immuno-moodulin is Differentially Expressed in T Cells and Plasma in Obsessive-Compulsive Disorder Patients

IA Blacksell, M Vismara, CM Lim, B Dell’Osso, S Pallanti, E Hollander, M Vendruscolo, C D’Addario, D Cooper, F D’Acquisto

(2024)

(doi: 10.1101/2024.12.16.628685)

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