Publications

Tips on using this search form

All search terms are case-insensitive
If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
To reset the search form, click here

Currently displaying 1401 - 1420 of 30675 publications

Advancing Bioactivity Prediction Through Molecular Docking and Self-Attention.

Y Yin, HYI Lam, Y Mu, H-Y Li, AW-K Kong

IEEE Journal of Biomedical and Health Informatics

(2024)

7599

(doi: 10.1109/jbhi.2024.3448455)

Intermolecular Asymmetric Arylative Dearomatization of 1-Naphthols

M Kadarauch, TA Moss, RJ Phipps

J Am Chem Soc

(2024)

146

34970

(doi: 10.1021/jacs.4c14754)

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

A Climent-Catala, MI Sanchez

Curr Opin Chem Biol

(2024)

102547

(doi: 10.1016/j.cbpa.2024.102547)

Ligand solid-solution tuning of magnetic and mechanical properties of the van der Waals metal-organic magnet NiCl₂(btd)_1-x(bod)_x

E Myatt, S Lata, J Pitcairn, D Daisenberger, SM Kronawitter, SA Hallweger, G Kieslich, SP Argent, JP Tidey, MJ Cliffe

Chemical communications (Cambridge, England)

(2024)

14427

(doi: 10.1039/d4cc04214j)

Fragment-based development of small molecule inhibitors targeting Mycobacterium tuberculosis cholesterol 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)

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

Journal of the American Chemical Society

(2024)

146

34260

(doi: 10.1021/jacs.4c12311)

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)

High Pressure Conformational Sampling

F Zeller, P Pracht, T Neudecker

(2024)

(doi: 10.26434/chemrxiv-2024-xx932)

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)

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)

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)

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)

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)