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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1661 - 1680 of 29493 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)
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)
102768
(doi: 10.1016/j.redox.2023.102768)
Enantiopure FeII 4L4 cages bind steroids stereoselectively
G Li, TK Ronson, R Lavendomme, Z Huang, C Fuertes-Espinosa, D Zhang, JR Nitschke
– Chem
(2023)
9,
1549
(doi: 10.1016/j.chempr.2023.03.011)
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)
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,
4591
(doi: 10.1039/d3ob00351e)
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)
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, 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
– Chemical Science
(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)
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)
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
– Journal of Chemical Physics
(2023)
158,
214503
(doi: 10.1063/5.0137052)
Stable and scalable computation of state visitation probabilities in finite Markov chains
DJ Sharpe, DJ Wales
– Journal of Chemical Physics
(2023)
158,
211103
(doi: 10.1063/5.0154772)
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)
Thermodynamic and kinetic approaches for drug discovery to target protein misfolding and aggregation
M Vendruscolo
– Expert Opin Drug Discov
(2023)
18,
881
(doi: 10.1080/17460441.2023.2221024)
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)
Global sensitivities of reactive N and S gas and particle concentrations anddeposition 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)
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)
Transcorrelated coupled cluster methods. II. Molecular systems
T Schraivogel, EM Christlmaier, P López Ríos, A Alavi, D Kats
– Journal of Chemical Physics
(2023)
158,
214106
(doi: 10.1063/5.0151412)
Case report of a patient with unclassified tauopathy with molecular and neuropathological features of both progressive supranuclear palsy and corticobasal degeneration
S Koga, MA Metrick, LI Golbe, A Santambrogio, M Kim, AI Soto-Beasley, RL Walton, MC Baker, CF De Castro, M DeTure, D Russell, BA Navia, C Sandiego, OA Ross, M Vendruscolo, B Caughey, DW Dickson
– Acta neuropathologica communications
(2023)
11,
88
(doi: 10.1186/s40478-023-01584-z)
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
– Angewandte Chemie International Edition
(2023)
62,
e202304449
(doi: 10.1002/anie.202304449)

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