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 2421 - 2440 of 30084 publications

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, S Bringuier, LC Brinson, K Choudhary, D Circi, S Cox, WAD Jong, ML Evans, N Gastellu, J Genzling, MV Gil, AK Gupta, Z Hong, A Imran, S Kruschwitz, A Labarre, J Lála, T Liu, S Ma, S Majumdar, GW Merz, N Moitessier, E Moubarak, B Mouriño, B Pelkie, M Pieler, MC Ramos, B Ranković, SG Rodriques, JN Sanders, P Schwaller, M Schwarting, J Shi, B Smit, BE Smith, JV Herck, C Völker, L Ward, S Warren, B Weiser, S Zhang, X Zhang, GA Zia, A Scourtas, KJ Schmidt, I Foster, AD White, B Blaiszik

(2023)

Enantiopure FeII 4L4 cages bind steroids stereoselectively

Li, TK Ronson, R Lavendomme, Z Huang, C Fuertes-Espinosa, D Zhang, JR Nitschke

Chem

(2023)

1549

(doi: 10.1016/j.chempr.2023.03.011)

Optimizing Jastrow factors for the transcorrelated method.

JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi

The Journal of chemical physics

(2023)

158

224105

(doi: 10.1063/5.0147877)

WITHDRAWN: Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736]

NB Mañucat-Tan, A Chowdhury, R Cataldi, RZ Abdullah, JR Kumita, AR Wyatt

Redox Biol

(2023)

102768

(doi: 10.1016/j.redox.2023.102768)

Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture

NA Hartley, SM Pugh, Z Xu, DC Leong, A Jaffe, AC Forse

(2023)

(doi: 10.26434/chemrxiv-2023-ls7mc-v2)

Improving comparative analyses of Hi-C data via contrastive self-supervised learning.

H Li, X He, L Kurowski, R Zhang, D Zhao, J Zeng

Briefings in Bioinformatics

(2023)

bbad193

(doi: 10.1093/bib/bbad193)

Understanding and controlling the molecular mechanisms of protein aggregation in mAb therapeutics.

KT Pang, YS Yang, W Zhang, YS Ho, P Sormanni, TCT Michaels, I Walsh, S Chia

Biotechnology Advances

(2023)

108192

(doi: 10.1016/j.biotechadv.2023.108192)

Synthesis of sp 3 -rich heterocyclic frameworks by a divergent synthesis strategy

KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring

Organic & Biomolecular Chemistry

(2023)

4591

(doi: 10.1039/d3ob00351e)

Seasonal, interannual and decadal variability of tropospheric ozone in the North Atlantic: comparison of UM-UKCA and remote sensing observations for 2005–2018

MR Russo, BJ Kerridge, NL Abraham, J Keeble, BG Latter, R Siddans, J Weber, PT Griffiths, JA Pyle, AT Archibald

Atmospheric Chemistry and Physics

(2023)

6169

(doi: 10.5194/acp-23-6169-2023)

Correction to “Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT”

BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, S Bernart, F Studt, J-D Grunwaldt

Journal of Physical Chemistry C

(2023)

127

11419

(doi: 10.1021/acs.jpcc.3c03075)

Structural and dimensional control of porphyrin capsules using Group 15 tris(3-pyridyl) linkers

Á García-Romero, D Miguel, DS Wright, CM Álvarez, R García-Rodríguez

Chemical science

(2023)

6522

(doi: 10.1039/d3sc02151c)

Fragment-Merging Strategies with Known Pyrimidine Scaffolds Targeting Dihydrofolate Reductase from Mycobacterium tuberculosis

T Kirkman, S Fun Tan, SM Chavez-Pacheco, A Hammer, C Abell, M Tosin, AG Coyne, MVB Dias

ChemMedChem

(2023)

e202300240

(doi: 10.1002/cmdc.202300240)

Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation

M Vendruscolo

Expert Opin Drug Discov

(2023)

881

(doi: 10.1080/17460441.2023.2221024)

Stable and scalable computation of state visitation probabilities in finite Markov chains

DJ Sharpe, DJ Wales

J Chem Phys

(2023)

158

211103

(doi: 10.1063/5.0154772)

C 13 NMR study of the electronic structure of lithiated graphite

DC Maxwell, CA O'Keefe, C Xu, CP Grey

Physical Review Materials

(2023)

065402

(doi: 10.1103/physrevmaterials.7.065402)

De Novo Human Angiotensin-Converting Enzyme 2 Decoy NL-CVX1 Protects Mice From Severe Disease After Severe Acute Respiratory Syndrome Coronavirus 2 Infection

M Rebelo, C Tang, AR Coelho, C Labão-Almeida, MM Schneider, L Tatalick, P Ruivo, MP de Miranda, A Gomes, T Carvalho, MJ Walker, H Ausserwoeger, J Pedro Simas, M Veldhoen, TPJ Knowles, D-A Silva, D Shoultz, GJL Bernardes

J Infect Dis

(2023)

228

723

(doi: 10.1093/infdis/jiad135)

Effect of the Solvent Quadrupolarizability on the Strength of the Hydrogen Bond: Theory vs Data for the Gibbs energy and Enthalpy of Homo- and Heteroassociation between Carboxylic Acids and Water

LJ Farren, N Sharifi, SM Clarke, RI Slavchov

The Journal of Chemical Physics

(2023)

158

214503

(doi: 10.1063/5.0137052)

Quantifying collective interactions in biomolecular phase separation

H Ausserwöger, D Qian, G Krainer, E de Csilléry, TJ Welsh, T Sneideris, TM Franzmann, S Qamar, NA Erkamp, J Nixon-Abell, M Kar, P St George-Hyslop, AA Hyman, S Alberti, RV Pappu, TPJ Knowles

(2023)

(doi: 10.1101/2023.05.31.543137)