Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 1401 - 1420 of 29303 publications
Author(s)
Publication title
Journal Name
Publication year
Deciphering ACE2-RBD binding affinity through peptide scanning: A molecular dynamics simulation approach.
J Tang, R Hu, Y Liu, J Liu, G Wang, J Lv, L Cheng, T He, Y Liu, P-L Shao, B Zhang
Computers in Biology and Medicine
(2024)
173
(doi: 10.1016/j.compbiomed.2024.108325)
Folded Spectrum VQE: A Quantum Computing Method for the Calculation of Molecular Excited States
L Cadi Tazi, AJW Thom
Journal of Chemical Theory and Computation
(2024)
20
(doi: 10.1021/acs.jctc.3c01378)
Can $GW$ Handle Multireference Systems?
A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos
Journal of Chemical Physics
(2024)
(doi: 10.48550/arxiv.2401.03745)
Nanoparticle-Catalyzed Transamination under Tumor Microenvironment Conditions: A Novel Tool to Disrupt the Pool of Amino Acids and GSSG in Cancer Cells
J Bonet-Aleta, JV Alegre-Requena, J Martin-Martin, M Encinas-Gimenez, A Martín-Pardillos, P Martin-Duque, JL Hueso, J Santamaria
Nano Letters
(2024)
24
(doi: 10.1021/acs.nanolett.3c04947)
Multicomponent Synthesis of α‑Branched Amines via a Zinc-Mediated Carbonyl Alkylative Amination Reaction
JM Phelps, R Kumar, JD Robinson, JCK Chu, NJ Flodén, S Beaton, MJ Gaunt
Journal of the American Chemical Society
(2024)
146
(doi: 10.1021/jacs.3c14037)
CanGWhandle multireference systems?
A Ammar, A Marie, M Rodríguez-Mayorga, HGA Burton, P-F Loos
Journal of Chemical Physics
(2024)
160
(doi: 10.1063/5.0196561)
Palladium (II)‐Catalyzed C−H Activation with Bifunctional Ligands: From Curiosity to Industrialization
K Wu, N Lam, DA Strassfeld, Z Fan, JX Qiao, T Liu, D Stamos, J-Q Yu
Angewandte Chemie (International ed. in English)
(2024)
63
(doi: 10.1002/anie.202400509)
Electrostatic [FeFe]-hydrogenase-carbon nitride assemblies for efficient solar hydrogen production
Y Liu, C Pulignani, S Webb, SJ Cobb, S Rodríguez-Jiménez, D Kim, RD Milton, E Reisner
Chem Sci
(2024)
15
(doi: 10.1039/d4sc00640b)
Insights into charge transfer dynamics of Li batteries through temperature-dependent electrochemical impedance spectroscopy (EIS) utilizing symmetric cell configuration
MA Zabara, G Katırcı, FE Civan, A Yürüm, SA Gürsel, B Ülgüt
Electrochimica Acta
(2024)
485
(doi: 10.1016/j.electacta.2024.144080)
Suppression of Dexter transfer by covalent encapsulation for efficient matrix-free narrowband deep blue hyperfluorescent OLEDs
H-H Cho, DG Congrave, AJ Gillett, S Montanaro, HE Francis, V Riesgo-Gonzalez, J Ye, R Chowdury, W Zeng, MK Etherington, J Royakkers, O Millington, AD Bond, F Plasser, JM Frost, CP Grey, A Rao, RH Friend, NC Greenham, H Bronstein
Nature materials
(2024)
23
(doi: 10.1038/s41563-024-01812-4)
Translational eigenstates of He@C60 from four-dimensional ab initio potential energy surfaces interpolated using Gaussian process regression
K Panchagnula, D Graf, FEA Albertani, AJW Thom
The Journal of chemical physics
(2024)
160
(doi: 10.1063/5.0197903)
Estimating the causal effect of temperature on ozone air pollution
S Hickman, P Griffiths, P Nowack, A Archibald
(2024)
(doi: 10.5194/egusphere-egu24-12694)
Ligand-Directed Self-Assembly of Organic-Semiconductor/Quantum-Dot Blend Films Enables Efficient Triplet Exciton-Photon Conversion
V Gray, DTW Toolan, S Dowland, JR Allardice, MP Weir, Z Zhang, J Xiao, A Klimash, JF Winkel, EK Holland, GM Fregoso, JE Anthony, H Bronstein, R Friend, AJ Ryan, RAL Jones, NC Greenham, A Rao
Journal of the American Chemical Society
(2024)
146
(doi: 10.1021/jacs.4c00125)
Rationale for the extrapolation procedure in selected configuration interaction.
HGA Burton, P-F Loos
Journal of Chemical Physics
(2024)
160
(doi: 10.1063/5.0192458)
PromptSMILES: Prompting for scaffold decoration and fragment linking in chemical language models
M Thomas, M Ahmad, G Tresadern, G de Fabritiis
(2024)
(doi: 10.26434/chemrxiv-2024-z5jnt)
Understanding Biology in the Age of Artificial Intelligence
E Lawrence, A El-Shazly, S Seal, CK Joshi, P Liò, S Singh, A Bender, P Sormanni, M Greenig
(2024)
A deep dive into the liquid droplet state of α-synuclein
ST Dada
(2024)
(doi: 10.17863/CAM.114651)
MolScore: A scoring and evaluation framework for de novo drug design
M Thomas, NM O'Boyle, A Bender, C de Graaf
(2024)
(doi: 10.26434/chemrxiv-2023-c4867-v2)
Impacts of Supercapacitor Electrode Structure on Electrochemical CO2 Capture
Z Xu, G Mapstone, Z Coady, M Wang, T Spreng, X Liu, A Forse
(2024)
(doi: 10.26434/chemrxiv-2023-nj817-v2)
Susceptibility of hypertensive individuals to acute blood pressure increases in response to personal-level environmental temperature decrease.
Y Xu, Y Han, W Chen, L Chatzidiakou, L Yan, A Krause, Y Li, H Zhang, T Wang, T Xue, Q Chan, B Barratt, RL Jones, J Liu, Y Wu, M Zhao, J Zhang, FJ Kelly, T Zhu
Environment international
(2024)
185
(doi: 10.1016/j.envint.2024.108567)
Yusuf Hamied Department of Chemistry
Lensfield Road
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CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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