Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 4701 - 4720 of 30626 publications
Author(s)
Publication title
Journal Name
Publication year
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 Gelzinyte, JM Goodman, PJ Russell, P Kukic, S Gutsell
TOXICOLOGY LETTERS
(2021)
350
(doi: 10.17863/CAM.79048)
Anaerobic, NADH-Dependent Haem Breakdown in a Family of Haemoproteins
AD Keith
(2021)
(doi: 10.17863/CAM.80344)
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)
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
A Bender
TOXICOLOGY LETTERS
(2021)
350
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)
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)
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)
The Amyloid-β Pathway in Alzheimer's Disease
H Hampel, J Hardy, K Blennow, C Chen, G Perry, SH Kim, VL Villemagne, P Aisen, M Vendruscolo, T Iwatsubo, CL Masters, M Cho, L Lannfelt, JL Cummings, A Vergallo
Mol Psychiatry
(2021)
26
(doi: 10.1038/s41380-021-01249-0)
Antibonding-Induced Anomalous Temperature Dependence of the Band Gap in Crystalline Ge2Sb2Te5
Y Huang, J Zhou, L Peng, K Li, SR Elliott, Z Sun
The Journal of Physical Chemistry C
(2021)
125
(doi: 10.1021/acs.jpcc.1c05342)
Counterbalancing light absorption and ionic transport losses in the electrolyte for integrated solar water splitting with III–V/Si dual-junctions
M Kölbach, C Özen, O Höhn, D Lackner, M Feifel, FF Abdi, MM May
APPLIED PHYSICS LETTERS
(2021)
119
(doi: 10.1063/5.0060700)
Automated and Continuous-Flow Platform to Analyze Semiconductor-Metal Complex Hybrid Systems for Photocatalytic CO2 Reduction
CD Sahm, GM Ucoski, S Roy, E Reisner
ACS Catalysis
(2021)
11
(doi: 10.1021/acscatal.1c02921)
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ML Evans, Á Fekete, A Gopakumar, S Gražulis, A Merkys, F Mohamed, C Oses, G Pizzi, G-M Rignanese, M Scheidgen, L Talirz, C Toher, D Winston, R Aversa, K Choudhary, P Colinet, S Curtarolo, D Di Stefano, C Draxl, S Er, M Esters, M Fornari, M Giantomassi, M Govoni, G Hautier, V Hegde, MK Horton, P Huck, G Huhs, J Hummelshøj, A Kariryaa, B Kozinsky, S Kumbhar, M Liu, N Marzari, AJ Morris, A Mostofi, KA Persson, G Petretto, T Purcell, F Ricci, F Rose, M Scheffler, D Speckhard, M Uhrin, A Vaitkus, P Villars, D Waroquiers, C Wolverton, M Wu, X Yang
(2021)
(doi: 10.48550/arxiv.2103.02068)
Correlating Local Structure and Sodium Storage in Hard Carbon Anodes: Insights from Pair Distribution Function Analysis and Solid-State NMR.
JM Stratford, AK Kleppe, DS Keeble, PA Chater, SS Meysami, CJ Wright, J Barker, M-M Titirici, PK Allan, CP Grey
J Am Chem Soc
(2021)
143
(doi: 10.1021/jacs.1c06058)
Cerebral Microdialysate Metabolite Monitoring using Mid-infrared Spectroscopy.
FC Alimagham, D Hutter, N Marco-García, E Gould, VH Highland, A Huefner, S Giorgi-Coll, MJ Killen, AP Zakrzewska, SR Elliott, KLH Carpenter, PJ Hutchinson, T Hutter
Analytical Chemistry
(2021)
93
(doi: 10.1021/acs.analchem.1c01149)
Evaluating the performance of a clinical genome sequencing program for diagnosis of rare genetic disease, seen through the lens of craniosynostosis.
Z Hyder, E Calpena, Y Pei, RS Tooze, H Brittain, SRF Twigg, D Cilliers, JEV Morton, E McCann, A Weber, LC Wilson, AGL Douglas, R McGowan, A Need, A Bond, ALT Tavares, ERA Thomas, Genomics England Research Consortium, SL Hill, ZC Deans, F Boardman-Pretty, M Caulfield, RH Scott, AOM Wilkie
Genetics in medicine : official journal of the American College of Medical Genetics
(2021)
23
(doi: 10.1038/s41436-021-01297-5)
Wet deposition in the remote western and central Mediterranean as a source of trace metals to surface seawater
K Desboeufs, F Fu, M Bressac, A Tovar-Sánchez, S Triquet, J-F Doussin, C Giorio, P Chazette, J Disnaquet, A Feron, P Formenti, F Maisonneuve, A Rodríguez-Romero, P Zapf, F Dulac, C Guieu
(2021)
(doi: 10.5194/acp-22-2309-2022)
High-Throughput Selection and Characterisation of Aptamers on Optical Next-Generation Sequencers
A Drees, M Fischer
International Journal of Molecular Sciences
(2021)
22
(doi: 10.3390/ijms22179202)
Alpha Synuclein only Forms Fibrils In Vitro when Larger than its Critical Size of 70 Monomers.
SE Sanchez, DR Whiten, G Meisl, FS Ruggeri, E Hidari, D Klenerman
ChemBioChem
(2021)
22
(doi: 10.1002/cbic.202100285)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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