Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 4541 - 4560 of 30393 publications
Author(s)
Publication title
Journal Name
Publication year
Kinetics of Disordered Proteins and their Interactions
T Lohr
(2021)
(doi: 10.17863/CAM.85024)
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
A Bender
TOXICOLOGY LETTERS
(2021)
350
Enantioselective synthesis of ammonium cations.
MP Walsh, JM Phelps, ME Lennon, DS Yufit, MO Kitching
Nature
(2021)
597
(doi: 10.1038/s41586-021-03735-5)
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
M Evans, C Andersen, S Dwaraknath, M Scheidgen, Á Fekete, D Winston
Journal of Open Source Software
(2021)
6
(doi: 10.21105/joss.03458)
Nonhuman IAPP Variants Inhibit Human IAPP Aggregation
A Oakes, K Menefee, A Lamba, LM Palato, DJ Rinauro, A Tun, B Jauregui, K Chang, LA Nogaj, DA Moffet
Protein and peptide letters
(2021)
28
(doi: 10.2174/0929866528666210806152706)
Modelling the macroeconomics of a 'closing the green finance gap' scenario for an energy transition
S Hafner, A Jones, A Anger-Kraavi, I Monasterolo
Environmental Innovation and Societal Transitions
(2021)
40
(doi: 10.1016/j.eist.2021.10.006)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelzinyte, JM Goodman, PJ Russell, P Kukic, S Gutsell
TOXICOLOGY LETTERS
(2021)
350
(doi: 10.17863/CAM.79048)
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes using novel waveform parameters and a modified random forest algorithm
H Yang, O Obrezanova, A Pointon, W Stebbeds, J Francis, KA Beattie, P Clements, JS Harvey, GF Smith, A Bender
TOXICOLOGY LETTERS
(2021)
350
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
A Liu, N Han, J Munoz-Muriedas, A Bender
Toxicology Letters
(2021)
350
(doi: 10.1016/s0378-4274(21)00538-5)
Thermodynamic Characterisation of Amyloid Fibrils
KL Callaghan
(2021)
(doi: 10.17863/CAM.82240)
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
AD Keith
(2021)
(doi: 10.17863/CAM.80344)
The impact of pooling animal histopathology control data on the statistical detection of treatment-related findings
PSR Wright, KA Briggs, R Thomas, GF Smith, G Maglennon, P Mikulskis, M Chapman, N Greene, A Bender
Toxicology Letters
(2021)
350
(doi: 10.1016/s0378-4274(21)00395-7)
The Independent Volcanic Eruption Source Parameter Archive (IVESPA, version 1.0): A new observational database to support explosive eruptive column model validation and development
TJ Aubry, S Engwell, C Bonadonna, G Carazzo, S Scollo, AR Van Eaton, IA Taylor, D Jessop, J Eychenne, M Gouhier, LG Mastin, KL Wallace, S Biass, M Bursik, RG Grainger, AM Jellinek, A Schmidt
Journal of Volcanology and Geothermal Research
(2021)
417
(doi: 10.1016/j.jvolgeores.2021.107295)
Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron-Sulfur Clusters.
W Dobrautz, O Weser, NA Bogdanov, A Alavi, G Li Manni
J Chem Theory Comput
(2021)
17
(doi: 10.1021/acs.jctc.1c00589)
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
S Seal, MA Trapotsi, JC Puigvert, H Yang, O Spjuth, A Bender
Toxicology Letters
(2021)
350
(doi: 10.1016/s0378-4274(21)00437-9)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelžinytė, JM Goodman, PJ Russell, P Kukic, S Gutsell
Toxicology Letters
(2021)
350
(doi: 10.1016/s0378-4274(21)00274-5)
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
D Basili, B Chambers, M Liddell, J Houghton, A White, I Shah, A Middleton, A Bender
TOXICOLOGY LETTERS
(2021)
350
Modulating Chalcogen Bonding and Halogen Bonding Sigma-Hole Donor Atom Potency and Selectivity for Halide Anion Recognition
A Docker, CH Guthrie, H Kuhn, PD Beer
Angewandte Chemie International Edition
(2021)
60
(doi: 10.1002/anie.202108591)
Thermodynamics and kinetics of crystallisation in deeply supercooled Stillinger-Weber silicon
Y Goswami, VV Vasisht, D Frenkel, PG Debenedetti, S Sastry
(2021)
(doi: 10.48550/arxiv.2108.13749)
Visible light photocatalysts from low-grade iron ore; the environmentally benign production of magnetite/carbon (Fe3O4/C) nanocomposites
M Periyasamy, S Sain, E Ghosh, KJ Jenkinson, AEH Wheatley, S Mukhopadhyay, A Kar
Environmental Science and Pollution Research
(2021)
29
(doi: 10.1007/s11356-021-15972-2)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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