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Currently displaying 721 - 740 of 29843 publications

Development of novel indicators and molecular systems for calcium sensing through protein engineering.

A Climent-Catala, MI Sanchez

Current Opinion in Chemical Biology

(2024)

102547

(doi: 10.1016/j.cbpa.2024.102547)

Estimation of ligand binding free energy using multi-eGO.

B Stegani, E Scalone, F Bacic Toplek, T Lohr, S Gianni, M Vendruscolo, R Capelli, C Camilloni

(2024)

(doi: 10.26434/chemrxiv-2024-jcmgc-v2)

Semiartificial Photosynthetic Nanoreactors for H₂ Generation

H Zhang, J Jaenecke, IL Bishara-Robertson, C Casadevall, HJ Redman, M Winkler, G Berggren, N Plumeré, JN Butt, E Reisner, LJC Jeuken

J Am Chem Soc

(2024)

146

34260

(doi: 10.1021/jacs.4c12311)

Fragment-based development of small molecule inhibitors targetingMycobacterium tuberculosischolesterol metabolism

ME Kavanagh, KJ McLean, SH Gilbert, C Amadi, M Snee, RB Tunnicliffe, K Arora, HI Boshoff, A Fanourakis, MJ Rebello-Lopez, F Ortega-Muro, CW Levy, AW Munro, D Leys, C Abell, AG Coyne

(2024)

(doi: 10.1101/2024.10.28.620643)

High Pressure Conformational Sampling

F Zeller, P Pracht, T Neudecker

(2024)

(doi: 10.26434/chemrxiv-2024-xx932)

Closed-loop photo- and electrocatalysis using floatable hierarchical hydrogel device for efficient waste-derived fuel production

WH Lee, S Lee, H Park, H Kim, JH Jeong, CW Lee, J Heo, Y-H Lee, Y Shin, KH Ahn, MS Bootharaju, B-H Lee, J Ryu, T Hyeon, Y-E Sung, D-H Kim

Device

(2024)

100515

(doi: 10.1016/j.device.2024.100515)

Synthesis of high-performance photocatalysts for solar-driven hydrogen production and carbon dioxide reduction

CW Lee, JH Kim, MS Bootharaju, T Hyeon, B-H Lee

Carbon Future

(2024)

9200025

(doi: 10.26599/cf.2024.9200025)

Reform or transform? A spectrum of stances towards the economic status quo within 'new economics' discourses

SJ Buckton, JO Kenter, N Mukherjee, S Waddock, A Anger-Kraavi, S Martino, I Fazey, AP Hejnowicz, J Kabubo-Mariara, JO Lafayette, K Locy, C Scarr

Global Social Challenges Journal

(2024)

382

(doi: 10.1332/27523349Y2024D000000025)

Improving ligand discovery using deep learning on three-dimensional structural data

B Baillif

(2024)

(doi: 10.17863/CAM.119823)

PLUMED Tutorials: a collaborative, community-driven learning ecosystem

GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, S Aureli, F Ballabio, M Bernetti, L Bonati, SGH Brookes, ZF Brotzakis, R Capelli, M Ceriotti, K-T Chan, P Cossio, S Dasetty, D Donadio, B Ensing, AL Ferguson, G Fraux, JD Gale, FL Gervasio, T Giorgino, NSM Herringer, GM Hocky, SE Hoff, M Invernizzi, O Languin-Cattöen, V Leone, V Limongelli, O Lopez-Acevedo, F Marinelli, PF Martinez, M Masetti, S Mehdi, A Michaelides, MH Murtada, M Parrinello, PM Piaggi, A Pietropaolo, F Pietrucci, S Pipolo, C Pritchard, P Raiteri, S Raniolo, D Rapetti, V Rizzi, J Rydzewski, M Salvalaglio, C Schran, A Seal, AS Zadeh, TFD Silva, V Spiwok, G Stirnemann, D Sucerquia, P Tiwary, O Valsson, M Vendruscolo, GA Voth, AD White, J Wu

(2024)

Development of an Automated Workflow for Screening the Assembly and Host-Guest Behaviour of Metal-Organic Cages towards Accelerated Discovery

A Basford, AH Bernardino, P Teeuwen, B Egleston, J Humphreys, K Jelfs, J Nitschke, I Riddell, R Greenaway

(2024)

(doi: 10.26434/chemrxiv-2024-hl427-v3)

Detecting and Tracking β-Amyloid Oligomeric Forms and Dynamics In Vitro by a High-Sensitivity Fluorescent-Based Assay

Y Zhao, O Brener, E Andrzejewska, J Wei, C Reiß, O Tietz, TPJ Knowles, FI Aigbirhio

ACS Chem Neurosci

(2024)

4383

(doi: 10.1021/acschemneuro.4c00312)

Language Models for Molecular Dynamics