Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 2101 - 2120 of 30563 publications
Author(s)
Publication title
Journal Name
Publication year
PyTASER: Simulating transient absorption spectroscopy (TAS) for crystals from first principles
S Aggarwal, SR Kavanagh, YW Woo, LG Verga, AM Ganose, A Walsh
The Journal of Open Source Software
(2024)
9
(doi: 10.21105/joss.05999)
Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator
LAV Nagle-Cocco, SE Dutton
Journal of Applied Crystallography
(2024)
57
(doi: 10.1107/s1600576723009925)
Sequence-Based Drug Design Using Transformers
M Vendruscolo, S Zhang, D Huo, R Horne, Y Qi, SP Ojeda, A Yan
(2024)
(doi: 10.21203/rs.3.rs-3682847/v1)
Mechanical properties of DNA govern nucleosome unwrapping
MJ Maristany, IP Lopez, JH Martin, R Collepardo-Guevara
Biophysical Journal
(2024)
123
(doi: 10.1016/j.bpj.2023.11.568)
Insights into Drug Cardiotoxicity from Biological and Chemical Data: The First Public Classifiers for FDA Drug-Induced Cardiotoxicity Rank.
S Seal, O Spjuth, L Hosseini-Gerami, M García-Ortegón, S Singh, A Bender, AE Carpenter
J Chem Inf Model
(2024)
64
(doi: 10.1021/acs.jcim.3c01834)
Backbone cationized highly branched poly(β-amino ester)s as enhanced delivery vectors in non-viral gene therapy.
Y Li, B Qiu, Z Li, X Wang, Z He, DM Sandoval, R Song, A Sigen, C Zhao, M Johnson, J Lyu, I Lara-Sáez, W Wang
Journal of Controlled Release
(2024)
367
(doi: 10.1016/j.jconrel.2024.01.046)
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations
AR McCluskey, AG Squires, J Dunn, SW Coles, BJ Morgan
The Journal of Open Source Software
(2024)
9
(doi: 10.21105/joss.05984)
Configuration of Ammonia on Cu{311}: Infrared Spectroscopy and First-Principles Theory
K Sitathani, I Temprano, SJ Jenkins
The Journal of Chemical Physics
(2024)
160
(doi: 10.1063/5.0187552)
Imaging Aβ aggregation by liquid-phase transmission electron microscopy
G Ing, S Acosta-Gutiérrez, M Vendruscolo, G Battaglia, L Ruiz-Pérez
(2024)
(doi: 10.1101/2024.01.29.577710)
Solar reforming as an emerging technology for circular chemical industries.
S Bhattacharjee, S Linley, E Reisner
Nature reviews. Chemistry
(2024)
8
(doi: 10.1038/s41570-023-00567-x)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2024)
(doi: 10.48550/arxiv.2312.12530)
Equivariant Matrix Function Neural Networks
I Batatia, LL Schaaf, H Chen, G Csányi, C Ortner, FA Faber
(2024)
(doi: 10.48550/arxiv.2310.10434)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
M Vendruscolo, M Milanesi, ZF Brotzakis
(2024)
(doi: 10.21203/rs.3.rs-3847495/v1)
The Development and Application of Ultra-sensitive Protein Aggregate Detection Techniques
Z Xia
(2024)
(doi: 10.17863/CAM.111027)
Mechanism of ORR and OER in non-aqueous electrolytes: general discussion.
GA Attard, PG Bruce, EJ Calvo, Y Chen, LA Curtiss, D Dewar, JHJ Ellison, J Fernández-Vidal, SA Freunberger, X Gao, CP Grey, LJ Hardwick, G Horwitz, J Janek, LR Johnson, E Jónsson, S Karunarathne, S Matsuda, S Menkin, S Mondal, S Nakanishi, N Ortiz-Vitoriano, Z Peng, JP Rivera, I Temprano, K Uosaki, ED Wachsman, Y Wu, S Ye
Faraday Discussions
(2024)
248
(doi: 10.1039/d3fd90060f)
Towards practical metal-oxygen batteries: general discussion.
LA Archer, PG Bruce, EJ Calvo, D Dewar, JHJ Ellison, SA Freunberger, X Gao, LJ Hardwick, G Horwitz, J Janek, LR Johnson, JW Jordan, S Matsuda, S Menkin, S Mondal, Q Qiu, T Samarakoon, I Temprano, K Uosaki, G Vailaya, ED Wachsman, Y Wu, S Ye
Faraday Discuss
(2024)
248
(doi: 10.1039/d3fd90062b)
Synthesis and Structure-Activity Relationship Studies of Dioxane- and Oxathiane-Based Analogs of (–)-Zampanolide
E Cotter, S Glauser, A Lelke, P Scapozza, S Berardozzi, D Lucena-Agell, R Hortigüela, M Oliva, JF Díaz, K-H Altmann
(2024)
(doi: 10.26434/chemrxiv-2024-nwb48)
Materials for stable metal–oxygen battery cathodes: general discussion
GA Attard, EJ Calvo, LA Curtiss, D Dewar, JHJ Ellison, X Gao, CP Grey, LJ Hardwick, G Horwitz, J Janek, LR Johnson, JW Jordan, S Matsuda, S Mondal, AR Neale, N Ortiz-Vitoriano, I Temprano, G Vailaya, ED Wachsman, H-H Wang, Y Wu, S Ye
Faraday discussions
(2024)
248
(doi: 10.1039/d3fd90059b)
Solvent-dependent iodide interactions in LiO2 electrolytes - a molecular dynamics study.
E Jónsson, AH Berge, CP Grey, I Temprano
Faraday discussions
(2024)
248
(doi: 10.1039/d3fd00090g)
Input and output files supporting Extension, Development and Evaluation of the representation of the OH-initiated DMS oxidation mechanism in the MCM v3.3.1 framework
L Jacob, C Giorio, A Archibald
(2024)
(doi: 10.17863/CAM.101652)
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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