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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 1601 - 1620 of 29394 publications
Optimizing Jastrow factors for the transcorrelated method.
JP Haupt, SM Hosseini, P López Ríos, W Dobrautz, A Cohen, A Alavi
– Journal of Chemical Physics
(2023)
158,
224105
(doi: 10.1063/5.0147877)
Quinone-functionalised carbons as new materials for electrochemical carbon dioxide capture
NA Hartley, SM Pugh, Z Xu, DCY Leong, A Jaffe, AC Forse
(2023)
(doi: 10.26434/chemrxiv-2023-ls7mc-v2)
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)
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)
21,
4591
(doi: 10.1039/d3ob00351e)
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,
108192
(doi: 10.1016/j.biotechadv.2023.108192)
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, JD 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
– Chem Sci
(2023)
14,
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)
18,
e202300240
(doi: 10.1002/cmdc.202300240)
Seasonal, interannual and decal 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,
6169
(doi: 10.5194/acp-23-6169-2023)
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
– The Journal of infectious diseases
(2023)
228,
723
(doi: 10.1093/infdis/jiad135)
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation.
M Vendruscolo
– Expert Opinion on Drug Discovery
(2023)
18,
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)
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)
C13 NMR study of the electronic structure of lithiated graphite
DC Maxwell, CA O'Keefe, C Xu, CP Grey
– Physical Review Materials
(2023)
7,
065402
(doi: 10.1103/physrevmaterials.7.065402)
Quantifying collective interactions in biomolecular phase separation
H Ausserwöger, D Qian, G Krainer, E de Csilléry, T Welsh, T Sneideris, T Franzmann, S Qamar, N Erkamp, J Nixon-Abell, M Kar, PS George-Hyslop, A Hyman, S Alberti, R Pappu, T Knowles
(2023)
(doi: 10.1101/2023.05.31.543137)
Merging Bioactivity Predictions from Cell Morphology and Chemical Fingerprint Models Using Similarity to Training Data
S Seal, H Yang, M-A Trapotsi, S Singh, J Carreras-Puigvert, O Spjuth, A Bender
– Journal of cheminformatics
(2023)
15,
56
(doi: 10.1186/s13321-023-00723-x)
Global sensitivities of reactive N and S gas and particle concentrations and deposition to precursor emissions reductions
Y Ge, M Vieno, DS Stevenson, P Wind, MR Heal
– Atmospheric Chemistry and Physics
(2023)
23,
6083
(doi: 10.5194/acp-23-6083-2023)
Cyclization of an Achiral Flipping Panel to Homochiral Tubes Exhibiting Circularly Polarized Luminescence
M Lin, L Bian, Q Chen, H Xu, Z Liu, K Zhu
– Angew Chem Int Ed Engl
(2023)
62,
e202303035
(doi: 10.1002/anie.202303035)
Transcorrelated coupled cluster methods. II. Molecular systems.
T Schraivogel, EM Christlmaier, P López Ríos, A Alavi, D Kats
– J Chem Phys
(2023)
158,
214106
(doi: 10.1063/5.0151412)
Unlocking the Potential of Bio-Based Nitrogen-Rich Furanic Platforms as Biomass Synthons.
RFA Gomes, BMF Gonçalves, KHS Andrade, BB Sousa, N Maulide, GJL Bernardes, CAM Afonso
– Angew Chem Int Ed Engl
(2023)
62,
e202304449
(doi: 10.1002/anie.202304449)

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