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Currently displaying 1261 - 1280 of 30378 publications

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)

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)

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)

Kinetics of silver ion encapsulation as nanoparticles using Vaccinium oxycoccos plant extract for the efficient sensing of Cr(III) ions and its biological assessment

A Bibi, MI Zaman, A Niaz, S Bibi, S Gul, N Ahmad, HE Osman

Chemical Engineering Journal

(2024)

502

158185

(doi: 10.1016/j.cej.2024.158185)

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

B Baillif

(2024)

(doi: 10.17863/CAM.119823)

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)

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)

Phase separation and ageing of glycine-rich protein from tick adhesive.

KA Ganar, M Nandy, P Turbina, C Chen, D Suylen, E Nihoul, EL Pascoe, S van der Beelen, M Plaum, L van den Bos, CJM Koenraadt, I Dijkgraaf, S Deshpande

Nat Chem

(2024)

186

(doi: 10.1038/s41557-024-01686-8)