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  • Currently displaying 2661 - 2680 of 30398 publications
Author(s)
Publication title
Journal Name
Publication year
A computational suite for the structural and functional characterization of amyloid aggregates
Z Xia, Y Wu, JYL Lam, Z Zhang, M Burke, E Fertan, RT Ranasinghe, E Hidari, JSH Danial, D Klenerman
Cell Reports: Methods
(2023)
Volume 3
Formation of Protein Nanoparticles in Microdroplet Flow Reactors.
Q Zhang, Z Toprakcioglu, AK Jayaram, G Guo, X Wang, TPJ Knowles
ACS Nano
(2023)
17
Mechanistic Studies on Iron-Catalyzed Dehydrogenation of Amines Involving Cyclopentadienone Iron ComplexesEvidence for Stepwise Hydride and Proton Transfer
S Manna, J Peters, A Bermejo-López, F Himo, J-E Bäckvall
ACS Catalysis
(2023)
13
Topological invariance in whiteness optimisation
JS Haataja, G Jacucci, TG Parton, L Schertel, S Vignolini
Communications physics
(2023)
6
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)
Optimizing Jastrow factors for the transcorrelated method.
JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi
J Chem Phys
(2023)
158
WITHDRAWN: Corrigendum to ‘Hypochlorite-induced oxidation promotes aggregation and reduces toxicity of amyloid beta 1–42’ [Redox Biol. 63 (2023) 102736]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 biology
(2023)
Enantiopure FeII 4L4 cages bind steroids stereoselectively
Li, TK Ronson, R Lavendomme, Z Huang, C Fuertes-Espinosa, D Zhang, JR Nitschke
Chem
(2023)
9
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)
24
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)
67
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DC Leong, A Jaffe, AC Forse
(2023)
Synthesis of sp3-rich heterocyclic frameworks by a divergent synthesis strategy
KT Mortensen, DSY Wong, TA King, HF Sore, DR Spring
Org Biomol Chem
(2023)
21
Correction to "Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT" (vol 127, pg 3032, 2023)
BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, S Bernart, F Studt, J-D Grunwaldt
The Journal of Physical Chemistry C
(2023)
127
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
Chem Sci
(2023)
14
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)
23
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)
18
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
13C NMR study of the electronic structure of lithiated graphite
DC Maxwell, CA O'Keefe, C Xu, CP Grey
Physical Review Materials
(2023)
7
Stable and scalable computation of state visitation probabilities in finite Markov chains.
DJ Sharpe, DJ Wales
Journal of Chemical Physics
(2023)
158
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation
M Vendruscolo
Expert opinion on drug discovery
(2023)
18