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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 1001 - 1020 of 29345 publications
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)
Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator
LAV Nagle-Cocco, SE Dutton
– Journal of Applied Crystallography
(2024)
57,
20
(doi: 10.1107/s1600576723009925)
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
– Journal of chemical information and modeling
(2024)
64,
1172
(doi: 10.1021/acs.jcim.3c01834)
kinisi: Bayesian analysis of mass transport from molecular dynamics simulations
AR McCluskey, AG Squires, J Dunn, SW Coles, BJ Morgan
– Journal of Open Source Software
(2024)
9,
5984
(doi: 10.21105/joss.05984)
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)
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)
Solar reforming as an emerging technology for circular chemical industries
S Bhattacharjee, S Linley, E Reisner
– Nature reviews. Chemistry
(2024)
8,
1
(doi: 10.1038/s41570-023-00567-x)
The Development and Application of Ultra-sensitive Protein Aggregate Detection Techniques
Z Xia
(2024)
(doi: 10.17863/CAM.111027)
Transient interactions between the fuzzy coat and the cross-β core of brain-derived Aβ42 filaments
M Vendruscolo, M Milanesi, F Brotzakis
(2024)
(doi: 10.21203/rs.3.rs-3847495/v1)
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)
Lithium Air Batteries – Tracking Function and Failure
JB Fritzke, JHJ Ellison, L Brazel, G Horwitz, S Menkin, CP Grey
– Faraday Discuss
(2024)
248,
9
(doi: 10.1039/d3fd00154g)
Engineering considerations for practical lithium-air electrolytes.
JHJ Ellison, CP Grey
– Faraday discussions
(2024)
248,
355
(doi: 10.1039/d3fd00091e)
Solvent-dependent iodide interactions in LiO2 electrolytes - a molecular dynamics study
E Jónsson, AH Berge, CP Grey, I Temprano
– Faraday Discussions
(2024)
248,
145
(doi: 10.1039/d3fd00090g)
Towards unravelling the mechanism and function of exoelectrogenesis in cyanobacteria
E Wroe
(2024)
(doi: 10.17863/CAM.109481)
Improving Antibody Humanness Prediction using Patent Data
T Ucar, A Ramon, D Oglic, R Croasdale-Wood, T Diethe, P Sormanni
(2024)
(link to publication)
Establishing a synthetic orthogonal replication system enables accelerated evolution in E. coli
R Tian, FBH Rehm, D Czernecki, Y Gu, JF Zürcher, KC Liu, JW Chin
– Science
(2024)
383,
421
(doi: 10.1126/science.adk1281)
Cation-ordering in low-temperature niobium-rich NbWO bronzes: New anodes for high rate Li-ion batteries
C Grey, S Nagendran, A Mahadevegowda, S Vema, M Danaie, W Song, B Wen, C Ducati
(2024)
(doi: 10.21203/rs.3.rs-3693278/v1)
Using Generative Modeling to Endow with Potency Initially Inert Compounds with Good Bioavailability and Low Toxicity.
RI Horne, J Wilson-Godber, A González Díaz, ZF Brotzakis, S Seal, RC Gregory, A Possenti, S Chia, M Vendruscolo
– Journal of Chemical Information and Modeling
(2024)
64,
590
(doi: 10.1021/acs.jcim.3c01777)
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
J Schumann, M Stamatakis, A Michaelides, R Réocreux
– Nature Chemistry
(2024)
16,
749
(doi: 10.1038/s41557-023-01424-6)
Stereocontrolled Self-Assembly of a Helicate-Bridged CuI 12L4 Cage That Emits Circularly Polarized Light
H Zhu, L Pesce, R Chowdhury, W Xue, K Wu, TK Ronson, RH Friend, GM Pavan, JR Nitschke
– J Am Chem Soc
(2024)
146,
2379
(doi: 10.1021/jacs.3c11321)

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